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: DB00957
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00957 Norgestimate Thumb


3 known interactions (targets) of input drug (DB00957): Norgestimate
No. Gene UniProt ID Protein Name Pathway PDB
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
2 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224
3 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215


20 predicted interactions (targets) of input drug (DB00957): Norgestimate
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 46.8%
2 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 37.5%
3 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 33.9%
4 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 33.3%
5 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 28.4%
6 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913 23.9%
7 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA 22.1%
8 CDK2 P24941 Cyclin-dependent kinase 2 hsa04068; hsa04110; hsa04114; hsa04115; hsa04151; hsa04218; hsa04914; hsa04934; hsa05161; hsa05162; hsa05165; hsa05168; hsa05169; hsa05200; hsa05203; hsa05215; hsa05222; hsa05226
1AQ1; 1B38; 1B39; 1BUH; 1CKP; 1DI8; 1DM2; 1E1V; 1E1X; 1E9H; 1F5Q; 1FIN; 1FQ1; 1FVT; 1FVV; 1G5S; 1GIH; 1GII; 1GIJ; 1GY3; 1GZ8; 1H00; 1H01; 1H07; 1H08; 1H0V; 1H0W; 1H1P; 1H1Q; 1H1R; 1H1S; 1H24; 1H25; 1H26; 1H27; 1H28; 1HCK; 1HCL; 1JST; 1JSU; 1JSV; 1JVP; 1KE5; 1KE6; 1KE7; 1KE8; 1KE9; 1OGU; 1OI9; 1OIQ; 1OIR; 1OIT; 1OIU; 1OIY; 1OKV; 1OKW; 1OL1; 1OL2; 1P2A; 1P5E; 1PF8; 1PKD; 1PW2; 1PXI; 1PXJ; 1PXK; 1PXL; 1PXM; 1PXN; 1PXO; 1PXP; 1PYE; 1QMZ; 1R78; 1URC; 1URW; 1V1K; 1VYW; 1VYZ; 1W0X; 1W8C; 1W98; 1WCC; 1Y8Y; 1Y91; 1YKR; 2A0C; 2A4L; 2B52; 2B53; 2B54; 2B55; 2BHE; 2BHH; 2BKZ; 2BPM; 2BTR; 2BTS; 2C4G; 2C5N; 2C5O; 2C5V; 2C5X; 2C5Y; 2C68; 2C69; 2C6I; 2C6K; 2C6L; 2C6M; 2C6O; 2C6T; 2CCH; 2CCI; 2CJM; 2CLX; 2DS1; 2DUV; 2EXM; 2FVD; 2G9X; 2HIC; 2I40; 2IW6; 2IW8; 2IW9; 2J9M; 2JGZ; 2R3F; 2R3G; 2R3H; 2R3I; 2R3J; 2R3K; 2R3L; 2R3M; 2R3N; 2R3O; 2R3P; 2R3Q; 2R3R; 2R64; 2UUE; 2UZB; 2UZD; 2UZE; 2UZL; 2UZN; 2UZO; 2V0D; 2V22; 2VTA; 2VTH; 2VTI; 2VTJ; 2VTL; 2VTM; 2VTN; 2VTO; 2VTP; 2VTQ; 2VTR; 2VTS; 2VTT; 2VU3; 2VV9; 2W05; 2W06; 2W17; 2W1H; 2WEV; 2WFY; 2WHB; 2WIH; 2WIP; 2WMA; 2WMB; 2WPA; 2WXV; 2X1N; 2XMY; 2XNB; 3BHT; 3BHU; 3BHV; 3DDP; 3DDQ; 3DOG; 3EID; 3EJ1; 3EOC; 3EZR; 3EZV; 3F5X; 3FZ1; 3IG7; 3IGG; 3LE6; 3LFN; 3LFQ; 3LFS; 3MY5; 3NS9; 3PJ8; 3PXF; 3PXQ; 3PXR; 3PXY; 3PXZ; 3PY0; 3PY1; 3QHR; 3QHW; 3QL8; 3QQF; 3QQG; 3QQH; 3QQJ; 3QQK; 3QQL; 3QRT; 3QRU; 3QTQ; 3QTR; 3QTS; 3QTU; 3QTW; 3QTX; 3QTZ; 3QU0; 3QWJ; 3QWK; 3QX2; 3QX4; 3QXO; 3QXP; 3QZF; 3QZG; 3QZH; 3QZI; 3R1Q; 3R1S; 3R1Y; 3R28; 3R6X; 3R71; 3R73; 3R7E; 3R7I; 3R7U; 3R7V; 3R7Y; 3R83; 3R8L; 3R8M; 3R8P; 3R8U; 3R8V; 3R8Z; 3R9D; 3R9H; 3R9N; 3R9O; 3RAH; 3RAI; 3RAK; 3RAL; 3RJC; 3RK5; 3RK7; 3RK9; 3RKB; 3RM6; 3RM7; 3RMF; 3RNI; 3ROY; 3RPO; 3RPR; 3RPV; 3RPY; 3RZB; 3S00; 3S0O; 3S1H; 3S2P; 3SQQ; 3SW4; 3SW7; 3TI1; 3TIY; 3TIZ; 3TNW; 3ULI; 3UNJ; 3UNK; 3WBL; 4ACM; 4BCK; 4BCM; 4BCN; 4BCO; 4BCP; 4BCQ; 4BGH; 4BZD; 4CFM; 4CFN; 4CFU; 4CFV; 4CFW; 4CFX; 4D1X; 4D1Z; 4EK3; 4EK4; 4EK5; 4EK6; 4EK8; 4EOI; 4EOJ; 4EOK; 4EOL; 4EOM; 4EON; 4EOO; 4EOP; 4EOQ; 4EOR; 4EOS; 4ERW; 4EZ3; 4EZ7; 4FKG; 4FKI; 4FKJ; 4FKL; 4FKO; 4FKP; 4FKQ; 4FKR; 4FKS; 4FKT; 4FKU; 4FKV; 4FKW; 4FX3; 4GCJ; 4I3Z; 4II5; 4KD1; 4LYN; 4NJ3; 4RJ3; 5A14; 5CYI; 5D1J
 21.2%
9 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 20.8%
10 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA 19.5%
11 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 18.5%
12 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 18.2%
13 MT-ATP6 P00846 ATP synthase subunit a hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 16.9%
14 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
 16.5%
15 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 16.4%
16 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 15.7%
17 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN 15.4%
18 MMP12 P39900 Macrophage metalloelastase NA 15.2%
19 HSP90AA1 P07900 Heat shock protein HSP 90-alpha hsa04141; hsa04151; hsa04217; hsa04612; hsa04621; hsa04657; hsa04659; hsa04914; hsa04915; hsa05200; hsa05215; hsa05418
1BYQ; 1OSF; 1UY6; 1UY7; 1UY8; 1UY9; 1UYC; 1UYD; 1UYE; 1UYF; 1UYG; 1UYH; 1UYI; 1UYK; 1UYL; 1YC1; 1YC3; 1YC4; 1YER; 1YES; 1YET; 2BSM; 2BT0; 2BUG; 2BYH; 2BYI; 2BZ5; 2C2L; 2CCS; 2CCT; 2CCU; 2CDD; 2FWY; 2FWZ; 2H55; 2JJC; 2K5B; 2QF6; 2QFO; 2QG0; 2QG2; 2UWD; 2VCI; 2VCJ; 2WI1; 2WI2; 2WI3; 2WI4; 2WI5; 2WI6; 2WI7; 2XAB; 2XDK; 2XDL; 2XDS; 2XDU; 2XDX; 2XHR; 2XHT; 2XHX; 2XJG; 2XJJ; 2XJX; 2XK2; 2YE2; 2YE3; 2YE4; 2YE5; 2YE6; 2YE7; 2YE8; 2YE9; 2YEA; 2YEB; 2YEC; 2YED; 2YEE; 2YEF; 2YEG; 2YEH; 2YEI; 2YEJ; 2YI0; 2YI5; 2YI6; 2YI7; 2YJW; 2YJX; 2YK2; 2YK9; 2YKB; 2YKC; 2YKE; 2YKI; 2YKJ; 3B24; 3B25; 3B26; 3B27; 3B28; 3BM9; 3BMY; 3D0B; 3EKO; 3EKR; 3FT5; 3FT8; 3HEK; 3HHU; 3HYY; 3HYZ; 3HZ1; 3HZ5; 3INW; 3INX; 3K97; 3K98; 3K99; 3MNR; 3O0I; 3OW6; 3OWB; 3OWD; 3Q6M; 3Q6N; 3QDD; 3QTF; 3R4M; 3R4N; 3R4O; 3R4P; 3R91; 3R92; 3RKZ; 3RLP; 3RLQ; 3RLR; 3T0H; 3T0Z; 3T10; 3T1K; 3T2S; 3TUH; 3VHA; 3VHC; 3VHD; 3WHA; 3WQ9; 4AIF; 4AWO; 4AWP; 4AWQ; 4B7P; 4BQJ; 4CGQ; 4CGU; 4CGV; 4CGW; 4CWF; 4CWN; 4CWO; 4CWP; 4CWQ; 4CWR; 4CWS; 4CWT; 4EEH; 4EFT; 4EFU; 4EGH; 4EGI; 4EGK; 4FCP; 4FCQ; 4FCR; 4HY6; 4JQL; 4L8Z; 4L90; 4L91; 4L93; 4L94; 4LWE; 4LWF; 4LWG; 4LWH; 4LWI; 4NH7; 4NH8; 4O04; 4O05; 4O07; 4O09; 4O0B; 4R3M; 4U93; 4W7T; 4XIP; 4XIQ; 4XIR; 4XIT
 15.2%
20 AKR1B1 P15121 Aldose reductase hsa00040; hsa00051; hsa00052; hsa00561; hsa00790; hsa01100
1ABN; 1ADS; 1AZ1; 1AZ2; 1EF3; 1EL3; 1IEI; 1MAR; 1PWL; 1PWM; 1T40; 1T41; 1US0; 1X96; 1X97; 1X98; 1XGD; 1Z3N; 1Z89; 1Z8A; 2ACQ; 2ACR; 2ACS; 2ACU; 2AGT; 2DUX; 2DUZ; 2DV0; 2F2K; 2FZ8; 2FZ9; 2FZB; 2FZD; 2HV5; 2HVN; 2HVO; 2I16; 2I17; 2IKG; 2IKH; 2IKI; 2IKJ; 2INE; 2INZ; 2IPW; 2IQ0; 2IQD; 2IS7; 2ISF; 2J8T; 2NVC; 2NVD; 2PD5; 2PD9; 2PDB; 2PDC; 2PDF; 2PDG; 2PDH; 2PDI; 2PDJ; 2PDK; 2PDL; 2PDM; 2PDN; 2PDP; 2PDQ; 2PDU; 2PDW; 2PDX; 2PDY; 2PEV; 2PF8; 2PFH; 2PZN; 2QXW; 2R24; 3BCJ; 3DN5; 3G5E; 3GHR; 3GHS; 3GHT; 3GHU; 3LBO; 3LD5; 3LEN; 3LEP; 3LQG; 3LQL; 3LZ3; 3LZ5; 3M0I; 3M4H; 3M64; 3MB9; 3MC5; 3ONB; 3ONC; 3P2V; 3Q65; 3Q67; 3RX2; 3RX3; 3RX4; 3S3G; 3T42; 3U2C; 3V35; 3V36; 4GCA; 4GQ0; 4IGS; 4JIR; 4LAU; 4LAZ; 4LB3; 4LB4; 4LBR; 4LBS; 4NKC; 4PR4; 4PRR; 4PRT; 4PUU; 4PUW; 4Q7B; 4QBX; 4QR6; 4QX4; 4QXI; 4RPQ; 4XZH; 4XZI
 15.2%


  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.