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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB00199
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB00199 Erythromycin Thumb


3 known interactions (targets) of input drug (DB00199): Erythromycin
No. Gene UniProt ID Protein Name Pathway PDB
1 MLNR O43193 Motilin receptor hsa04080 NA
2 ALB P02768 Serum albumin hsa04918
3 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA


20 predicted interactions (targets) of input drug (DB00199): Erythromycin
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 22.9%
2 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 22.6%
3 CACNA1G O43497 Voltage-dependent T-type calcium channel subunit alpha-1G hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04930; hsa04934 NA 21.7%
4 MET P08581 Hepatocyte growth factor receptor hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04360; hsa04510; hsa04520; hsa05100; hsa05120; hsa05144; hsa05200; hsa05202; hsa05205; hsa05206; hsa05211; hsa05218; hsa05225; hsa05226; hsa05230 20.4%
5 CACNA1C Q13936 Voltage-dependent L-type calcium channel subunit alpha-1C hsa04010; hsa04020; hsa04022; hsa04024; hsa04260; hsa04261; hsa04270; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04742; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04930; hsa04934; hsa05010; hsa05031; hsa05410; hsa05412; hsa05414 1T0J; 2BE6; 2F3Y; 2F3Z; 2LQC; 3G43; 3OXQ 19.1%
6 KCNQ1 P51787 Potassium voltage-gated channel subfamily KQT member 1 hsa04261; hsa04725; hsa04971; hsa04972; hsa04974; hsa05110 3BJ4; 3HFC; 3HFE; 4UMO; 4V0C 18.3%
7 CACNA2D2 Q9NY47 Voltage-dependent calcium channel subunit alpha-2/delta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 18.1%
8 SLCO1B1 Q9Y6L6 Solute carrier organic anion transporter family member 1B1 hsa04976 NA 18.0%
9 KCNH7 Q9NS40 Potassium voltage-gated channel subfamily H member 7 NA NA 17.8%
10 ORM1 P02763 Alpha-1-acid glycoprotein 1 NA 3KQ0 17.5%
11 CACNA1H O95180 Voltage-dependent T-type calcium channel subunit alpha-1H hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 17.3%
12 CACNA1B Q00975 Voltage-dependent N-type calcium channel subunit alpha-1B hsa04010; hsa04020; hsa04721; hsa04723; hsa04725; hsa04726; hsa04727; hsa04728; hsa04930; hsa05032; hsa05033 2LCM 17.3%
13 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 17.3%
14 CASR P41180 Extracellular calcium-sensing receptor hsa04621; hsa04928 NA 17.2%
15 TOP2A P11388 DNA topoisomerase 2-alpha hsa01524 1LWZ; 1ZXM; 1ZXN; 4FM9; 4R1F 17.1%
16 OPRL1 P41146 Nociceptin receptor hsa04080 4EA3; 5DHG; 5DHH 16.6%
17 EDNRA P25101 Endothelin-1 receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04270; hsa04924; hsa05200 NA 16.3%
18 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 16.3%
19 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 16.0%
20 HRH3 Q9Y5N1 Histamine H3 receptor hsa04080 NA 15.8%



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Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.