Published in BMC Bioinformatics on June 10, 2010
A pharmacological organization of G protein-coupled receptors. Nat Methods (2013) 1.65
Orphan receptor ligand discovery by pickpocketing pharmacological neighbors. Nat Chem Biol (2016) 1.41
Mapping small molecule binding data to structural domains. BMC Bioinformatics (2012) 1.05
Global analysis of small molecule binding to related protein targets. PLoS Comput Biol (2012) 0.99
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets. J Cheminform (2013) 0.89
A ligand's-eye view of protein similarity. Nat Methods (2013) 0.86
Cross-pharmacology analysis of G protein-coupled receptors. Curr Top Med Chem (2011) 0.83
GPCR ontology: development and application of a G protein-coupled receptor pharmacology knowledge framework. Bioinformatics (2013) 0.82
Chemogenomic analysis of G-protein coupled receptors and their ligands deciphers locks and keys governing diverse aspects of signalling. PLoS One (2011) 0.81
Exploring the ligand-protein networks in traditional chinese medicine: current databases, methods, and applications. Evid Based Complement Alternat Med (2013) 0.80
Are phylogenetic trees suitable for chemogenomics analyses of bioactivity data sets: the importance of shared active compounds and choosing a suitable data embedding method, as exemplified on Kinases. J Cheminform (2013) 0.79
Biofragments: an approach towards predicting protein function using biologically related fragments and its application to Mycobacterium tuberculosis CYP126. Chembiochem (2014) 0.77
CFam: a chemical families database based on iterative selection of functional seeds and seed-directed compound clustering. Nucleic Acids Res (2014) 0.75
Deorphanizing the human transmembrane genome: A landscape of uncharacterized membrane proteins. Acta Pharmacol Sin (2013) 0.75
PPDMs-a resource for mapping small molecule bioactivities from ChEMBL to Pfam-A protein domains. Bioinformatics (2014) 0.75
GPCRsort-responding to the next generation sequencing data challenge: prediction of G protein-coupled receptor classes using only structural region lengths. OMICS (2014) 0.75
MEGA4: Molecular Evolutionary Genetics Analysis (MEGA) software version 4.0. Mol Biol Evol (2007) 168.76
Database resources of the National Center for Biotechnology Information. Nucleic Acids Res (2007) 22.53
High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor. Science (2007) 20.32
The universal protein resource (UniProt). Nucleic Acids Res (2007) 16.33
DrugBank: a comprehensive resource for in silico drug discovery and exploration. Nucleic Acids Res (2006) 15.19
Crystal structure of the human beta2 adrenergic G-protein-coupled receptor. Nature (2007) 14.06
Structure of a beta1-adrenergic G-protein-coupled receptor. Nature (2008) 11.97
The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist. Science (2008) 11.74
The G-protein-coupled receptors in the human genome form five main families. Phylogenetic analysis, paralogon groups, and fingerprints. Mol Pharmacol (2003) 9.99
Relating protein pharmacology by ligand chemistry. Nat Biotechnol (2007) 6.61
Global mapping of pharmacological space. Nat Biotechnol (2006) 4.99
The properties of known drugs. 1. Molecular frameworks. J Med Chem (1996) 4.75
A G-protein-coupled receptor for leukotriene B4 that mediates chemotaxis. Nature (1997) 4.27
GPCRDB information system for G protein-coupled receptors. Nucleic Acids Res (2003) 3.34
International Union of Pharmacology. XLVI. G protein-coupled receptor list. Pharmacol Rev (2005) 3.33
Drug design strategies for targeting G-protein-coupled receptors. Chembiochem (2002) 2.86
The selectivity of beta-adrenoceptor antagonists at the human beta1, beta2 and beta3 adrenoceptors. Br J Pharmacol (2005) 2.73
The utilization of recombinant prostanoid receptors to determine the affinities and selectivities of prostaglandins and related analogs. Biochim Biophys Acta (2000) 2.37
Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure. ChemMedChem (2007) 2.36
GCRDb: a G-protein-coupled receptor database. Receptors Channels (1994) 2.23
GLIDA: GPCR--ligand database for chemical genomics drug discovery--database and tools update. Nucleic Acids Res (2007) 2.22
Data completeness--the Achilles heel of drug-target networks. Nat Biotechnol (2008) 2.18
The 7 TM G-protein-coupled receptor target family. ChemMedChem (2006) 2.00
Antagonism of the prostaglandin D2 receptors DP1 and CRTH2 as an approach to treat allergic diseases. Nat Rev Drug Discov (2007) 1.52
A chemogenomic analysis of the transmembrane binding cavity of human G-protein-coupled receptors. Proteins (2006) 1.48
Definition of the G protein-coupled receptor transmembrane bundle binding pocket and calculation of receptor similarities for drug design. J Med Chem (2009) 1.37
G protein-coupled receptor drug discovery: implications from the crystal structure of rhodopsin. Curr Opin Drug Discov Devel (2001) 1.33
Chemogenomic approaches to drug discovery: similar receptors bind similar ligands. Br J Pharmacol (2007) 1.28
Screening the receptorome to discover the molecular targets for plant-derived psychoactive compounds: a novel approach for CNS drug discovery. Pharmacol Ther (2004) 1.19
A chemogenomic analysis of the human proteome: application to enzyme families. J Biomol Screen (2007) 1.11
Property-based design of GPCR-targeted library. J Chem Inf Comput Sci (2002) 1.10
Chemogenomic data analysis: prediction of small-molecule targets and the advent of biological fingerprint. Comb Chem High Throughput Screen (2007) 1.09
Convergent evolution on the molecular level. Brain Behav Evol (2002) 1.08
General pharmacology of clozapine. Br J Psychiatry Suppl (1992) 1.07
Recognition of privileged structures by G-protein coupled receptors. J Med Chem (2004) 1.03
2,4,6-trisubstituted pyrimidines as a new class of selective adenosine A1 receptor antagonists. J Med Chem (2004) 1.02
Dopamine D1 receptor ligands: where are we now and where are we going. Med Res Rev (2009) 1.01
Are target-family-privileged substructures truly privileged? J Med Chem (2006) 0.92
Muscarinic receptors and drugs in cardiovascular medicine. Cardiovasc Drugs Ther (1995) 0.90
Dopamine receptors for every species: gene duplications and functional diversification in Craniates. J Struct Funct Genomics (2003) 0.89
"Bayes affinity fingerprints" improve retrieval rates in virtual screening and define orthogonal bioactivity space: when are multitarget drugs a feasible concept? J Chem Inf Model (2006) 0.86
A novel hepatointestinal leukotriene B4 receptor. Cloning and functional characterization. J Biol Chem (2000) 0.84
Towards a new generation of potential antipsychotic agents combining D2 and 5-HT1A receptor activities. J Med Chem (2007) 0.83
Substructure mining of GPCR ligands reveals activity-class specific functional groups in an unbiased manner. J Chem Inf Model (2009) 0.79
Optimisation of anti-psychotic therapeutics: a balancing act? Br J Pharmacol (2007) 0.77
The KEGG resource for deciphering the genome. Nucleic Acids Res (2004) 53.05
Development of a chemical structure comparison method for integrated analysis of chemical and genomic information in the metabolic pathways. J Am Chem Soc (2003) 15.30
LIGAND: database of chemical compounds and reactions in biological pathways. Nucleic Acids Res (2002) 13.61
The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist. Science (2008) 11.74
Computational assignment of the EC numbers for genomic-scale analysis of enzymatic reactions. J Am Chem Soc (2004) 11.50
Mice genetically deficient in vasopressin V1a and V1b receptors are resistant to jet lag. Science (2013) 3.51
Integrating high-content screening and ligand-target prediction to identify mechanism of action. Nat Chem Biol (2007) 3.17
Identification of novel microRNA targets based on microRNA signatures in bladder cancer. Int J Cancer (2009) 3.15
Salt-sensitive hypertension in circadian clock-deficient Cry-null mice involves dysregulated adrenal Hsd3b6. Nat Med (2009) 2.30
Single-cell expression profiling of dopaminergic neurons combined with association analysis identifies pyridoxal kinase as Parkinson's disease gene. Ann Neurol (2009) 2.21
Multi-parameter phenotypic profiling: using cellular effects to characterize small-molecule compounds. Nat Rev Drug Discov (2009) 1.95
An efficient, versatile and scalable pattern growth approach to mine frequent patterns in unaligned protein sequences. Bioinformatics (2007) 1.92
Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. J Med Chem (2010) 1.88
2-Amino-6-furan-2-yl-4-substituted nicotinonitriles as A2A adenosine receptor antagonists. J Med Chem (2008) 1.87
Mapping adverse drug reactions in chemical space. J Med Chem (2009) 1.77
Ligand-target prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics. J Chem Inf Model (2008) 1.69
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J Comput Aided Mol Des (2011) 1.68
Germinal center marker GL7 probes activation-dependent repression of N-glycolylneuraminic acid, a sialic acid species involved in the negative modulation of B-cell activation. Mol Cell Biol (2007) 1.63
A pharmacological model for psychosis based on N-methyl-D-aspartate receptor hypofunction: molecular, cellular, functional and behavioral abnormalities. Biol Psychiatry (2006) 1.57
Data mining of the public version of the FDA Adverse Event Reporting System. Int J Med Sci (2013) 1.56
A multiplex real-time PCR method to detect and quantify mitochondrial DNA deletions in individual cells. Anal Biochem (2007) 1.56
Multi-RELIEF: a method to recognize specificity determining residues from multiple sequence alignments using a Machine-Learning approach for feature weighting. Bioinformatics (2007) 1.51
Nature of mitochondrial DNA deletions in substantia nigra neurons. Am J Hum Genet (2008) 1.48
Anti-MRSA agent discovery using diversity-oriented synthesis. Angew Chem Int Ed Engl (2008) 1.47
Histamine synthesis is required for granule maturation in murine mast cells. Eur J Immunol (2013) 1.44
Gaining insight into off-target mediated effects of drug candidates with a comprehensive systems chemical biology analysis. J Chem Inf Model (2009) 1.40
Diversity-oriented synthesis; a spectrum of approaches and results. Org Biomol Chem (2008) 1.37
Ligand binding and subtype selectivity of the human A(2A) adenosine receptor: identification and characterization of essential amino acid residues. J Biol Chem (2010) 1.37
From in silico target prediction to multi-target drug design: current databases, methods and applications. J Proteomics (2011) 1.35
Metabolite identification using automated comparison of high-resolution multistage mass spectral trees. Anal Chem (2012) 1.35
MicroRNA: biogenetic and functional mechanisms and involvements in cell differentiation and cancer. J Pharmacol Sci (2006) 1.33
Understanding and classifying metabolite space and metabolite-likeness. PLoS One (2011) 1.29
Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms. J Chem Inf Model (2012) 1.29
Recognizing pitfalls in virtual screening: a critical review. J Chem Inf Model (2012) 1.27
G protein-coupled receptor heteromerization: a role in allosteric modulation of ligand binding. Mol Pharmacol (2011) 1.27
Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME. IDrugs (2006) 1.25
Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors. J Med Chem (2006) 1.23
MicroRNA-338-3p and microRNA-451 contribute to the formation of basolateral polarity in epithelial cells. Nucleic Acids Res (2009) 1.23
Global correlation analysis for micro-RNA and mRNA expression profiles in human cell lines. J Hum Genet (2008) 1.23
Internalization and desensitization of adenosine receptors. Purinergic Signal (2007) 1.21
Modeling promiscuity based on in vitro safety pharmacology profiling data. ChemMedChem (2007) 1.21
Analysis of multiple compound-protein interactions reveals novel bioactive molecules. Mol Syst Biol (2011) 1.19
Secreted CXCL1 is a potential mediator and marker of the tumor invasion of bladder cancer. Clin Cancer Res (2008) 1.18
Statin-associated muscular and renal adverse events: data mining of the public version of the FDA adverse event reporting system. PLoS One (2011) 1.17
Hypersensitivity reactions to anticancer agents: data mining of the public version of the FDA adverse event reporting system, AERS. J Exp Clin Cancer Res (2011) 1.15
Trends in antibody sequence changes during the somatic hypermutation process. J Immunol (2006) 1.13
Skeletal diversity construction via a branching synthetic strategy. Chem Commun (Camb) (2006) 1.12
In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window. J Chem Inf Model (2013) 1.12
A probabilistic model for mining implicit 'chemical compound-gene' relations from literature. Bioinformatics (2005) 1.11
Omeprazole- and esomeprazole-associated hypomagnesaemia: data mining of the public version of the FDA Adverse Event Reporting System. Int J Med Sci (2012) 1.11
Platinum agent-induced hypersensitivity reactions: data mining of the public version of the FDA adverse event reporting system, AERS. Int J Med Sci (2011) 1.10
Coupling of the human A1 adenosine receptor to different heterotrimeric G proteins: evidence for agonist-specific G protein activation. Br J Pharmacol (2004) 1.09
Adverse event profiles of platinum agents: data mining of the public version of the FDA adverse event reporting system, AERS, and reproducibility of clinical observations. Int J Med Sci (2011) 1.09
Heuristics for chemical compound matching. Genome Inform (2003) 1.09
Identification of EP4 as a potential target for the treatment of castration-resistant prostate cancer using a novel xenograft model. Cancer Res (2010) 1.08
Adenosine A1 receptor binding activity of methoxy flavonoids from Orthosiphon stamineus. Planta Med (2009) 1.08
A two-entropies analysis to identify functional positions in the transmembrane region of class A G protein-coupled receptors. Proteins (2006) 1.07
Structure-activity relationships of inverse agonists for G-protein-coupled receptors. Med Res Rev (2005) 1.07
Drip, ship, and retrieve: cooperative recanalization therapy in acute basilar artery occlusion. Stroke (2010) 1.07
Alterations of hippocampal and prefrontal GABAergic interneurons in an animal model of psychosis induced by NMDA receptor antagonism. Schizophr Res (2007) 1.07
Inhibition of protein kinase CK2 prevents the progression of glomerulonephritis. Proc Natl Acad Sci U S A (2005) 1.06
Rehabilitation outcome of anoxic-ischaemic encephalopathy survivors with prolonged disorders of consciousness. Resuscitation (2013) 1.06
Adverse event profiles of 5-fluorouracil and capecitabine: data mining of the public version of the FDA Adverse Event Reporting System, AERS, and reproducibility of clinical observations. Int J Med Sci (2011) 1.05
G protein-coupled receptors of the hypothalamic-pituitary-gonadal axis: a case for Gnrh, LH, FSH, and GPR54 receptor ligands. Med Res Rev (2008) 1.03
Random forest Gini importance favours SNPs with large minor allele frequency: impact, sources and recommendations. Brief Bioinform (2011) 1.03
2,4,6-trisubstituted pyrimidines as a new class of selective adenosine A1 receptor antagonists. J Med Chem (2004) 1.02
Synthesis and biological evaluation of a new series of 2,3,5-substituted [1,2,4]-thiadiazoles as modulators of adenosine A1 receptors and their molecular mechanism of action. J Med Chem (2005) 1.02
Allosteric modulation of the adenosine family of receptors. Mini Rev Med Chem (2005) 1.02
Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs. J Chem Inf Model (2009) 1.02
Adverse event profile of tigecycline: data mining of the public version of the U.S. Food and Drug Administration adverse event reporting system. Biol Pharm Bull (2012) 1.02
Expression analysis of dopaminergic neurons in Parkinson's disease and aging links transcriptional dysregulation of energy metabolism to cell death. Acta Neuropathol (2011) 1.01
Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram data. PLoS Comput Biol (2013) 1.01
Functionally biased modulation of A(3) adenosine receptor agonist efficacy and potency by imidazoquinolinamine allosteric enhancers. Biochem Pharmacol (2011) 0.99
Fishing the target of antitubercular compounds: in silico target deconvolution model development and validation. J Proteome Res (2009) 0.98
Nutritional screening for risk prediction in patients scheduled for extra-abdominal surgery. Nutrition (2013) 0.98
Nicotinic acid receptor subtypes and their ligands. Med Res Rev (2007) 0.98
Determination of different putative allosteric binding pockets at the lutropin receptor by using diverse drug-like low molecular weight ligands. Mol Cell Endocrinol (2012) 0.97
P-glycoprotein substrate models using support vector machines based on a comprehensive data set. J Chem Inf Model (2011) 0.97
Flexible modulation of agonist efficacy at the human A3 adenosine receptor by the imidazoquinoline allosteric enhancer LUF6000. BMC Pharmacol (2008) 0.97
How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space. J Chem Inf Model (2013) 0.97
Identification of genomic biomarkers for concurrent diagnosis of drug-induced renal tubular injury using a large-scale toxicogenomics database. Toxicology (2009) 0.97
Efficient tree-matching methods for accurate carbohydrate database queries. Genome Inform (2003) 0.97
Bilateral loss of cortical SSEP responses is compatible with good outcome after cardiac arrest. J Neurol (2012) 0.97
Understanding false positives in reporter gene assays: in silico chemogenomics approaches to prioritize cell-based HTS data. J Chem Inf Model (2007) 0.96
tGRAP, the G-protein coupled receptors mutant database. Nucleic Acids Res (2002) 0.96
General melting point prediction based on a diverse compound data set and artificial neural networks. J Chem Inf Model (2005) 0.96
Structure-based identification of OATP1B1/3 inhibitors. Mol Pharmacol (2013) 0.96
Grasping premanifest Huntington's disease - shaping new endpoints for new trials. Mov Disord (2010) 0.95
The role of a sodium ion binding site in the allosteric modulation of the A(2A) adenosine G protein-coupled receptor. Structure (2013) 0.95
Structure-activity relationships of new 1H-imidazo[4,5-c]quinolin-4-amine derivatives as allosteric enhancers of the A3 adenosine receptor. J Med Chem (2006) 0.94
Diversity-oriented synthesis of macrocyclic peptidomimetics. Proc Natl Acad Sci U S A (2011) 0.94
Chemogenomics approaches to rationalizing the mode-of-action of traditional Chinese and Ayurvedic medicines. J Chem Inf Model (2013) 0.93