QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: DB13946
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB13946 Testosterone undecanoate Thumb


3 known interactions (targets) of input drug (DB13946): Testosterone undecanoate
No. Gene UniProt ID Protein Name Pathway PDB
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224
2 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT
3 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215


20 predicted interactions (targets) of input drug (DB13946): Testosterone undecanoate
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 47.9%
2 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 44.4%
3 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 43.6%
4 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 34.6%
5 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 30.1%
6 MAPK14 Q16539 Mitogen-activated protein kinase 14 hsa01522; hsa04010; hsa04015; hsa04068; hsa04071; hsa04218; hsa04261; hsa04370; hsa04380; hsa04550; hsa04611; hsa04620; hsa04621; hsa04622; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04664; hsa04668; hsa04670; hsa04714; hsa04722; hsa04723; hsa04728; hsa04750; hsa04912; hsa04914; hsa04917; hsa04926; hsa04933; hsa05014; hsa05120; hsa05131; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05152; hsa05160; hsa05163; hsa05164; hsa05167; hsa05169; hsa05170; hsa05205; hsa05418
1A9U; 1BL6; 1BL7; 1BMK; 1DI9; 1IAN; 1KV1; 1KV2; 1M7Q; 1OUK; 1OUY; 1OVE; 1OZ1; 1R39; 1R3C; 1W7H; 1W82; 1W83; 1W84; 1WBN; 1WBO; 1WBS; 1WBT; 1WBV; 1WBW; 1WFC; 1YQJ; 1ZYJ; 1ZZ2; 1ZZL; 2BAJ; 2BAK; 2BAL; 2BAQ; 2FSL; 2FSM; 2FSO; 2FST; 2GFS; 2I0H; 2LGC; 2NPQ; 2OKR; 2ONL; 2QD9; 2RG5; 2RG6; 2Y8O; 2YIS; 2YIW; 2YIX; 2ZAZ; 2ZB0; 2ZB1; 3BV2; 3BV3; 3BX5; 3C5U; 3CTQ; 3D7Z; 3D83; 3DS6; 3DT1; 3E92; 3E93; 3FC1; 3FI4; 3FKL; 3FKN; 3FKO; 3FL4; 3FLN; 3FLQ; 3FLS; 3FLW; 3FLY; 3FLZ; 3FMH; 3FMJ; 3FMK; 3FML; 3FMM; 3FMN; 3FSF; 3FSK; 3GC7; 3GCP; 3GCQ; 3GCS; 3GCU; 3GCV; 3GFE; 3GI3; 3HA8; 3HEC; 3HEG; 3HL7; 3HLL; 3HP2; 3HP5; 3HRB; 3HUB; 3HUC; 3HV3; 3HV4; 3HV5; 3HV6; 3HV7; 3HVC; 3IPH; 3ITZ; 3IW5; 3IW6; 3IW7; 3IW8; 3K3I; 3K3J; 3KF7; 3KQ7; 3L8S; 3L8X; 3LFA; 3LFB; 3LFC; 3LFD; 3LFE; 3LFF; 3LHJ; 3MGY; 3MH0; 3MH1; 3MH2; 3MH3; 3MPA; 3MPT; 3MVL; 3MVM; 3MW1; 3NEW; 3NNU; 3NNV; 3NNW; 3NNX; 3NWW; 3O8P; 3O8T; 3O8U; 3OBG; 3OBJ; 3OC1; 3OCG; 3OD6; 3ODY; 3ODZ; 3OEF; 3PG3; 3QUD; 3QUE; 3RIN; 3ROC; 3S3I; 3S4Q; 3U8W; 3UVP; 3UVQ; 3UVR; 3ZS5; 3ZSG; 3ZSH; 3ZSI; 3ZYA; 4A9Y; 4AA0; 4AA4; 4AA5; 4AAC; 4DLI; 4DLJ; 4E5A; 4E5B; 4E6A; 4E6C; 4E8A; 4EH2; 4EH3; 4EH4; 4EH5; 4EH6; 4EH7; 4EH8; 4EH9; 4EHV; 4EWQ; 4F9W; 4F9Y; 4FA2; 4GEO; 4KIN; 4KIP; 4KIQ; 4L8M; 4R3C
 25.5%
7 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA 21.6%
8 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913 21.0%
9 TRPV3 Q8NET8 Transient receptor potential cation channel subfamily V member 3 hsa04750 NA 17.9%
10 CTSS P25774 Cathepsin S hsa04142; hsa04145; hsa04210; hsa04612; hsa05152 17.3%
11 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 17.0%
12 SULT2B1 O00204 Sulfotransferase family cytosolic 2B member 1 hsa00140 1Q1Q; 1Q1Z; 1Q20; 1Q22 16.2%
13 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 16.1%
14 GPER1 Q99527 G-protein coupled estrogen receptor 1 hsa01522; hsa04915 NA 15.6%
15 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 14.3%
16 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 13.9%
17 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 13.8%
18 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA 13.7%
19 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 13.5%
20 PTGS2 P35354 Prostaglandin G/H synthase 2 hsa00590; hsa01100; hsa04064; hsa04370; hsa04625; hsa04657; hsa04668; hsa04723; hsa04726; hsa04913; hsa04921; hsa04923; hsa05140; hsa05163; hsa05165; hsa05167; hsa05200; hsa05204; hsa05206; hsa05222 1V0X 13.3%


  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.