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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: DB00257
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Vet approved		 SmallMoleculeDrug DB00257 Clotrimazole Thumb


3 known interactions (targets) of input drug (DB00257): Clotrimazole
No. Gene UniProt ID Protein Name Pathway PDB
1 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP
2 KCNN4 O15554 Intermediate conductance calcium-activated potassium channel protein 4 hsa04911; hsa04970; hsa04974 NA
3 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA


20 predicted interactions (targets) of input drug (DB00257): Clotrimazole
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR 35.0%
2 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 32.4%
3 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 28.1%
4 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 23.9%
5 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 23.3%
6 AKT1 P31749 RAC-alpha serine/threonine-protein kinase hsa01521; hsa01522; hsa01524; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04066; hsa04068; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04152; hsa04210; hsa04211; hsa04213; hsa04218; hsa04261; hsa04370; hsa04371; hsa04380; hsa04510; hsa04550; hsa04611; hsa04620; hsa04625; hsa04630; hsa04660; hsa04662; hsa04664; hsa04666; hsa04668; hsa04722; hsa04725; hsa04728; hsa04910; hsa04914; hsa04915; hsa04917; hsa04919; hsa04920; hsa04922; hsa04923; hsa04926; hsa04931; hsa04932; hsa04933; hsa04973; hsa05142; hsa05145; hsa05152; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05169; hsa05170; hsa05200; hsa05205; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05220; hsa05221; hsa05222; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231; hsa05418 22.7%
7 KCNMA1 Q12791 Calcium-activated potassium channel subunit alpha-1 hsa04022; hsa04270; hsa04911; hsa04924; hsa04970; hsa04972 2K44; 3MT5; 3NAF 22.3%
8 SULT2B1 O00204 Sulfotransferase family cytosolic 2B member 1 hsa00140 1Q1Q; 1Q1Z; 1Q20; 1Q22 21.8%
9 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913 21.7%
10 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 20.4%
11 GABRB1 P18505 Gamma-aminobutyric acid receptor subunit beta-1 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 NA 20.2%
12 KCNN1 Q92952 Small conductance calcium-activated potassium channel protein 1 hsa04911 NA 20.1%
13 CACNA1H O95180 Voltage-dependent T-type calcium channel subunit alpha-1H hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 19.8%
14 GABRE P78334 Gamma-aminobutyric acid receptor subunit epsilon hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 19.5%
15 GP9 P14770 Platelet glycoprotein IX hsa04512; hsa04611; hsa04640 3REZ 18.8%
16 mmp20 O43923 Matrix metalloproteinase-25 NA NA 18.7%
17 GABRG1 Q8N1C3 Gamma-aminobutyric acid receptor subunit gamma-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 18.7%
18 BCHE P06276 Cholinesterase NA 18.6%
19 KCNN2 Q9H2S1 Small conductance calcium-activated potassium channel protein 2 hsa04726; hsa04911; hsa04976 NA 18.3%
20 GABRB3 P28472 Gamma-aminobutyric acid receptor subunit beta-3 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 4COF 18.3%


  logl

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.