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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: DB09389
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB09389 Norgestrel Thumb


3 known interactions (targets) of input drug (DB09389): Norgestrel
No. Gene UniProt ID Protein Name Pathway PDB
1 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 3D90; 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR
2 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215
3 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA


20 predicted interactions (targets) of input drug (DB09389): Norgestrel
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 45.1%
2 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 35.9%
3 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 35.3%
4 SRD5A2 P31213 3-oxo-5-alpha-steroid 4-dehydrogenase 2 hsa00140; hsa05215 NA 31.3%
5 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 27.0%
6 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 26.2%
7 CACNA1B Q00975 Voltage-dependent N-type calcium channel subunit alpha-1B hsa04010; hsa04020; hsa04721; hsa04723; hsa04725; hsa04726; hsa04727; hsa04728; hsa04930; hsa05032; hsa05033 2LCM 23.1%
8 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 21.5%
9 PPARG P37231 Peroxisome proliferator-activated receptor gamma hsa03320; hsa04152; hsa04211; hsa04380; hsa04714; hsa05016; hsa05200; hsa05202; hsa05216
1FM6; 1FM9; 1I7I; 1K74; 1KNU; 1NYX; 1PRG; 1RDT; 1WM0; 1ZEO; 1ZGY; 2ATH; 2F4B; 2FVJ; 2G0G; 2G0H; 2GTK; 2HFP; 2HWQ; 2HWR; 2I4J; 2I4P; 2I4Z; 2OM9; 2P4Y; 2POB; 2PRG; 2Q59; 2Q5P; 2Q5S; 2Q61; 2Q6R; 2Q6S; 2Q8S; 2QMV; 2VSR; 2VST; 2VV0; 2VV1; 2VV2; 2VV3; 2VV4; 2XKW; 2YFE; 2ZK0; 2ZK1; 2ZK2; 2ZK3; 2ZK4; 2ZK5; 2ZK6; 2ZNO; 2ZVT; 3ADS; 3ADT; 3ADU; 3ADV; 3ADW; 3ADX; 3AN3; 3AN4; 3B0Q; 3B0R; 3B1M; 3B3K; 3BC5; 3CDP; 3CDS; 3CS8; 3CWD; 3D6D; 3DZU; 3DZY; 3E00; 3ET0; 3ET3; 3FEJ; 3FUR; 3G9E; 3GBK; 3H0A; 3HO0; 3HOD; 3IA6; 3K8S; 3KMG; 3LMP; 3NOA; 3OSI; 3OSW; 3PBA; 3PO9; 3PRG; 3QT0; 3R5N; 3R8A; 3R8I; 3S9S; 3SZ1; 3T03; 3TY0; 3U9Q; 3V9T; 3V9V; 3V9Y; 3VJH; 3VJI; 3VN2; 3VSO; 3VSP; 3WJ4; 3WJ5; 3WMH; 3X1H; 3X1I; 4A4V; 4A4W; 4CI5; 4E4K; 4E4Q; 4EM9; 4EMA; 4F9M; 4FGY; 4HEE; 4JAZ; 4JL4; 4L96; 4L98; 4O8F; 4OJ4; 4PRG; 4PVU; 4PWL; 4R2U; 4R6S; 4XLD; 4XTA; 4XUM; 4Y29
 21.3%
10 CACNB3 P54284 Voltage-dependent L-type calcium channel subunit beta-3 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 19.7%
11 CACNB4 O00305 Voltage-dependent L-type calcium channel subunit beta-4 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 1VYV; 2D46 19.6%
12 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 19.5%
13 SCN1A P35498 Sodium channel protein type 1 subunit alpha hsa04728 NA 19.0%
14 NOS2 P35228 Nitric oxide synthase, inducible hsa00220; hsa00330; hsa01100; hsa04020; hsa04066; hsa04146; hsa04371; hsa04926; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05200; hsa05222 1NSI; 2LL6; 2NSI; 3E7G; 3EJ8; 3HR4; 4CX7; 4NOS 19.0%
15 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
 18.4%
16 TRPV3 Q8NET8 Transient receptor potential cation channel subfamily V member 3 hsa04750 NA 18.2%
17 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 17.9%
18 CACNA1G O43497 Voltage-dependent T-type calcium channel subunit alpha-1G hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04930; hsa04934 NA 17.9%
19 CYP11B2 P19099 Cytochrome P450 11B2, mitochondrial hsa00140; hsa01100; hsa04925 4DVQ; 4FDH; 4ZGX 17.7%
20 CACNB2 Q08289 Voltage-dependent L-type calcium channel subunit beta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 17.2%


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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.