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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: DB12418
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB12418 Saccharin Thumb


1 known interactions (targets) of input drug (DB12418): Saccharin
No. Gene UniProt ID Protein Name Pathway PDB
1 CA3 P07451 Carbonic anhydrase 3 hsa00910 1Z93; 1Z97; 2HFW; 3UYN; 3UYQ


20 predicted interactions (targets) of input drug (DB12418): Saccharin
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CA2 P00918 Carbonic anhydrase 2 hsa00910; hsa04964; hsa04966; hsa04971; hsa04972; hsa04976
12CA; 1A42; 1AM6; 1AVN; 1BCD; 1BIC; 1BN1; 1BN3; 1BN4; 1BNM; 1BNN; 1BNQ; 1BNT; 1BNU; 1BNV; 1BNW; 1BV3; 1CA2; 1CA3; 1CAH; 1CAI; 1CAJ; 1CAK; 1CAL; 1CAM; 1CAN; 1CAO; 1CAY; 1CAZ; 1CCS; 1CCT; 1CCU; 1CIL; 1CIM; 1CIN; 1CNB; 1CNC; 1CNG; 1CNH; 1CNI; 1CNJ; 1CNK; 1CNW; 1CNX; 1CNY; 1CRA; 1CVA; 1CVB; 1CVC; 1CVD; 1CVE; 1CVF; 1CVH; 1DCA; 1DCB; 1EOU; 1F2W; 1FQL; 1FQM; 1FQN; 1FQR; 1FR4; 1FR7; 1FSN; 1FSQ; 1FSR; 1G0E; 1G0F; 1G1D; 1G3Z; 1G45; 1G46; 1G48; 1G4J; 1G4O; 1G52; 1G53; 1G54; 1H4N; 1H9N; 1H9Q; 1HCA; 1HEA; 1HEB; 1HEC; 1HED; 1HVA; 1I8Z; 1I90; 1I91; 1I9L; 1I9M; 1I9N; 1I9O; 1I9P; 1I9Q; 1IF4; 1IF5; 1IF6; 1IF7; 1IF8; 1IF9; 1KWQ; 1KWR; 1LG5; 1LG6; 1LGD; 1LUG; 1LZV; 1MOO; 1MUA; 1OKL; 1OKM; 1OKN; 1OQ5; 1RAY; 1RAZ; 1RZA; 1RZB; 1RZC; 1RZD; 1RZE; 1T9N; 1TB0; 1TBT; 1TE3; 1TEQ; 1TEU; 1TG3; 1TG9; 1TH9; 1THK; 1TTM; 1UGA; 1UGB; 1UGC; 1UGD; 1UGE; 1UGF; 1UGG; 1XEG; 1XEV; 1XPZ; 1XQ0; 1YDA; 1YDB; 1YDC; 1YDD; 1YO0; 1YO1; 1YO2; 1Z9Y; 1ZE8; 1ZFK; 1ZFQ; 1ZGE; 1ZGF; 1ZH9; 1ZSA; 1ZSB; 1ZSC; 2ABE; 2AW1; 2AX2; 2CA2; 2CBA; 2CBB; 2CBC; 2CBD; 2CBE; 2EU2; 2EU3; 2EZ7; 2F14; 2FMG; 2FMZ; 2FNK; 2FNM; 2FNN; 2FOQ; 2FOS; 2FOU; 2FOV; 2GD8; 2GEH; 2H15; 2H4N; 2HD6; 2HKK; 2HL4; 2HNC; 2HOC; 2ILI; 2NNG; 2NNO; 2NNS; 2NNV; 2NWO; 2NWP; 2NWY; 2NWZ; 2NXR; 2NXS; 2NXT; 2O4Z; 2OSF; 2OSM; 2POU; 2POV; 2POW; 2Q1B; 2Q1Q; 2Q38; 2QO8; 2QOA; 2QP6; 2VVA; 2VVB; 2WD2; 2WD3; 2WEG; 2WEH; 2WEJ; 2WEO; 2X7S; 2X7T; 2X7U; 3B4F; 3BET; 3BL0; 3BL1; 3C7P; 3CA2; 3CAJ; 3CYU; 3D8W; 3D92; 3D93; 3D9Z; 3DAZ; 3DBU; 3DC3; 3DC9; 3DCC; 3DCS; 3DCW; 3DD0; 3DD8; 3DV7; 3DVB; 3DVC; 3DVD; 3EFI; 3EFT; 3F4X; 3F8E; 3FFP; 3GZ0; 3HFP; 3HKN; 3HKQ; 3HKT; 3HKU; 3HLJ; 3HS4; 3IBI; 3IBL; 3IBN; 3IBU; 3IEO; 3IGP; 3K2F; 3K34; 3K7K; 3KIG; 3KKX; 3KNE; 3KOI; 3KOK; 3KON; 3KS3; 3KWA; 3L14; 3M04; 3M14; 3M1J; 3M1K; 3M1Q; 3M1W; 3M2N; 3M2X; 3M2Y; 3M2Z; 3M3X; 3M40; 3M5E; 3M5S; 3M5T; 3M67; 3M96; 3M98; 3MHC; 3MHI; 3MHL; 3MHM; 3MHO; 3ML2; 3MMF; 3MNA; 3MNH; 3MNI; 3MNJ; 3MNK; 3MNU; 3MWO; 3MYQ; 3MZC; 3N0N; 3N2P; 3N3J; 3N4B; 3NB5; 3NI5; 3NJ9; 3OIK; 3OIL; 3OIM; 3OKU; 3OKV; 3OY0; 3OYQ; 3OYS; 3P3H; 3P3J; 3P44; 3P4V; 3P55; 3P58; 3P5A; 3P5L; 3PJJ; 3PO6; 3PYK; 3QYK; 3R16; 3R17; 3RG3; 3RG4; 3RGE; 3RJ7; 3RLD; 3RYJ; 3RYV; 3RYX; 3RYY; 3RYZ; 3RZ0; 3RZ1; 3RZ5; 3RZ7; 3RZ8; 3S71; 3S72; 3S73; 3S74; 3S75; 3S76; 3S77; 3S78; 3S8X; 3S9T; 3SAP; 3SAX; 3SBH; 3SBI; 3T5U; 3T5Z; 3T82; 3T83; 3T84; 3T85; 3TMJ; 3TVN; 3TVO; 3U3A; 3U45; 3U47; 3U7C; 3V2J; 3V2M; 3V3F; 3V3G; 3V3H; 3V3I; 3V3J; 3V5G; 3V7X; 3VBD; 3ZP9; 4BCW; 4BF1; 4BF6; 4CA2; 4CAC; 4CQ0; 4DZ7; 4DZ9; 4E3D; 4E3F; 4E3G; 4E3H; 4E49; 4E4A; 4E5Q; 4FIK; 4FL7; 4FPT; 4FRC; 4FU5; 4FVN; 4FVO; 4G0C; 4GL1; 4HBA; 4HEW; 4HEY; 4HEZ; 4HF3; 4HT0; 4IDR; 4ILX; 4ITO; 4ITP; 4IWZ; 4JS6; 4JSA; 4JSS; 4JSW; 4JSZ; 4K0S; 4K0T; 4K0Z; 4K13; 4K1Q; 4KAP; 4KNI; 4KNJ; 4KUV; 4KUW; 4KUY; 4KV0; 4L5U; 4L5V; 4L5W; 4LHI; 4LP6; 4M2R; 4M2U; 4M2V; 4M2W; 4MDG; 4MDL; 4MDM; 4MLT; 4MLX; 4MO8; 4MTY; 4N0X; 4N16; 4PQ7; 4PXX; 4PYX; 4PYY; 4PZH; 4Q06; 4Q07; 4Q08; 4Q09; 4Q49; 4Q6D; 4Q6E; 4Q78; 4Q7P; 4Q7S; 4Q7V; 4Q7W; 4Q81; 4Q83; 4Q87; 4Q8X; 4Q8Y; 4Q8Z; 4Q90; 4Q99; 4Q9Y; 4QEF; 4QIY; 4QJM; 4QK1; 4QK2; 4QK3; 4QSA; 4QSB; 4QSI; 4QTL; 4QY3; 4R59; 4R5A; 4R5B; 4RFC; 4RFD; 4RH2; 4RIU; 4RIV; 4RN4; 4RUX; 4RUY; 4RUZ; 4WL4; 4WW6; 4XE1; 4Y0J; 4YGJ; 4YGK; 4YGL; 4YGN; 4YWP; 4Z0Q; 4Z1E; 4Z1J; 4Z1K; 4Z1N; 4ZAO; 4ZWI; 4ZWX; 4ZWY; 4ZWZ; 4ZX0; 4ZX1; 5AMD; 5AMG; 5AML; 5BNL; 5BRU; 5BRV; 5BRW; 5BYI; 5CA2; 5CAC; 5CLU; 5E2R; 6CA2; 7CA2; 8CA2; 9CA2
 50.4%
2 CA4 P22748 Carbonic anhydrase 4 hsa00910; hsa04964 1ZNC; 3F7B; 3F7U; 3FW3 40.9%
3 CA1 P00915 Carbonic anhydrase 1 hsa00910 35.1%
4 CA7 P43166 Carbonic anhydrase 7 hsa00910 3MDZ; 3ML5 29.2%
5 CA5A P35218 Carbonic anhydrase 5A, mitochondrial hsa00910 NA 23.9%
6 SLC12A3 P55017 Solute carrier family 12 member 3 NA NA 23.3%
7 CA12 O43570 Carbonic anhydrase 12 hsa00910 1JCZ; 1JD0; 4HT2; 4KP5; 4KP8; 4Q0L; 4QJ0; 4QJO; 4QJW; 4WW8 21.7%
8 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
 18.9%
9 CA14 Q9ULX7 Carbonic anhydrase 14 hsa00910 4LU3; 5CJF 18.2%
10 CA9 Q16790 Carbonic anhydrase 9 hsa00910 2HKF; 3IAI; 5FL4; 5FL5; 5FL6 17.9%
11 SQLE Q14534 Squalene monooxygenase hsa00100; hsa01100 NA 17.5%
12 GABBR1 Q9UBS5 Gamma-aminobutyric acid type B receptor subunit 1 hsa04024; hsa04080; hsa04727; hsa04742; hsa04915; hsa05032 4MQE; 4MQF; 4MR7; 4MR8; 4MR9; 4MRM; 4MS1; 4MS3; 4MS4; 4PAS 16.6%
13 ATP1A1 P05023 Sodium/potassium-transporting ATPase subunit alpha-1 hsa04022; hsa04024; hsa04260; hsa04261; hsa04911; hsa04918; hsa04919; hsa04925; hsa04960; hsa04961; hsa04964; hsa04970; hsa04971; hsa04972; hsa04973; hsa04974; hsa04976; hsa04978 NA 16.2%
14 HSP90AB1 P08238 Heat shock protein HSP 90-beta hsa04141; hsa04151; hsa04217; hsa04612; hsa04621; hsa04657; hsa04659; hsa04914; hsa04915; hsa05200; hsa05215; hsa05418 1QZ2; 1UYM; 2L6J; 3FWV; 3NMQ; 3PRY; 3UQ3 15.7%
15 CHRNA1 P02708 Acetylcholine receptor subunit alpha hsa04080 1Y5P; 1Y5T; 1Y6C; 4ZJS 14.7%
16 GRIK1 P39086 Glutamate receptor ionotropic, kainate 1 hsa04080; hsa04724 2ZNS; 2ZNT; 2ZNU; 3FUZ; 3FV1; 3FV2; 3FVG; 3FVK; 3FVN; 3FVO; 4MF3 14.2%
17 ADH1A P07327 Alcohol dehydrogenase 1A hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 1HSO; 1U3T 14.2%
18 VDR P11473 Vitamin D3 receptor hsa04928; hsa04961; hsa04978; hsa05152 13.7%
19 CTSK P43235 Cathepsin K hsa04142; hsa04210; hsa04380; hsa04620; hsa05323 13.5%
20 SOD1 P00441 Superoxide dismutase [Cu-Zn] hsa04146; hsa04213; hsa05014; hsa05016; hsa05020 13.4%


  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.