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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: DB00761
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Withdrawn		 SmallMoleculeDrug DB00761 Potassium Chloride Thumb


6 known interactions (targets) of input drug (DB00761): Potassium Chloride
No. Gene UniProt ID Protein Name Pathway PDB
1 SLC12A2 P55011 Solute carrier family 12 member 2 hsa04970; hsa04972; hsa05110 NA
2 SLC12A5 Q9H2X9 Solute carrier family 12 member 5 hsa04727 NA
3 SLC12A6 Q9UHW9 Solute carrier family 12 member 6 NA NA
4 SLC12A1 Q13621 Solute carrier family 12 member 1 NA NA
5 SLC12A7 Q9Y666 Solute carrier family 12 member 7 hsa04966 NA
6 SLC12A4 Q9UP95 Solute carrier family 12 member 4 NA NA


20 predicted interactions (targets) of input drug (DB00761): Potassium Chloride
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 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 47.7%
2 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA 31.2%
3 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 28.3%
4 PLA2G2A P14555 Phospholipase A2, membrane associated hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 1AYP; 1BBC; 1DB4; 1DB5; 1DCY; 1J1A; 1KQU; 1KVO; 1N28; 1N29; 1POD; 1POE; 2GNY; 3U8B; 3U8D; 3U8H; 3U8I 26.9%
5 FNTA P49354 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha hsa00900 1JCQ; 1LD7; 1LD8; 1MZC; 1S63; 1SA4; 1TN6; 2F0Y; 2H6F; 2H6G; 2H6H; 2H6I; 2IEJ; 3E37 21.5%
6 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 21.4%
7 F10 P00742 Coagulation factor X hsa04610
1C5M; 1EZQ; 1F0R; 1F0S; 1FAX; 1FJS; 1FXY; 1G2L; 1G2M; 1HCG; 1IOE; 1IQE; 1IQF; 1IQG; 1IQH; 1IQI; 1IQJ; 1IQK; 1IQL; 1IQM; 1IQN; 1KSN; 1LPG; 1LPK; 1LPZ; 1LQD; 1MQ5; 1MQ6; 1MSX; 1NFU; 1NFW; 1NFX; 1NFY; 1NL8; 1P0S; 1V3X; 1WU1; 1XKA; 1XKB; 1Z6E; 2BMG; 2BOH; 2BOK; 2BQ6; 2BQ7; 2BQW; 2CJI; 2D1J; 2EI6; 2EI7; 2EI8; 2FZZ; 2G00; 2GD4; 2H9E; 2J2U; 2J34; 2J38; 2J4I; 2J94; 2J95; 2JKH; 2P16; 2P3F; 2P3T; 2P3U; 2P93; 2P94; 2P95; 2PHB; 2PR3; 2Q1J; 2RA0; 2UWL; 2UWO; 2UWP; 2VH0; 2VH6; 2VVC; 2VVU; 2VVV; 2VWL; 2VWM; 2VWN; 2VWO; 2W26; 2W3I; 2W3K; 2WYG; 2WYJ; 2XBV; 2XBW; 2XBX; 2XBY; 2XC0; 2XC4; 2XC5; 2Y5F; 2Y5G; 2Y5H; 2Y7X; 2Y7Z; 2Y80; 2Y81; 2Y82; 3CEN; 3CS7; 3ENS; 3FFG; 3HPT; 3IIT; 3K9X; 3KL6; 3KQB; 3KQC; 3KQD; 3KQE; 3LIW; 3M36; 3M37; 3Q3K; 3SW2; 3TK5; 3TK6; 4A7I; 4BTI; 4BTT; 4BTU; 4Y6D; 4Y71; 4Y76; 4Y79; 4Y7A; 4Y7B
 20.7%
8 MAOA P21397 Amine oxidase [flavin-containing] A hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 1H8Q; 2BXR; 2BXS; 2Z5X; 2Z5Y 20.6%
9 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 20.3%
10 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 20.1%
11 HPN P05981 Serine protease hepsin hsa05203 1O5E; 1O5F; 1P57; 1Z8G; 3T2N 19.7%
12 TNF P01375 Tumor necrosis factor hsa01523; hsa04010; hsa04060; hsa04064; hsa04071; hsa04150; hsa04210; hsa04217; hsa04350; hsa04380; hsa04612; hsa04620; hsa04621; hsa04622; hsa04625; hsa04640; hsa04650; hsa04657; hsa04660; hsa04664; hsa04668; hsa04920; hsa04930; hsa04931; hsa04932; hsa04933; hsa04940; hsa05010; hsa05014; hsa05133; hsa05134; hsa05140; hsa05142; hsa05143; hsa05144; hsa05145; hsa05146; hsa05152; hsa05160; hsa05161; hsa05163; hsa05164; hsa05165; hsa05166; hsa05168; hsa05170; hsa05205; hsa05310; hsa05321; hsa05322; hsa05323; hsa05330; hsa05332; hsa05410; hsa05414; hsa05418 1A8M; 1TNF; 2AZ5; 2E7A; 2TUN; 2ZJC; 2ZPX; 3ALQ; 3IT8; 3L9J; 3WD5; 4G3Y; 4TSV; 4TWT; 5TSW 19.7%
13 NOS3 P29474 Nitric oxide synthase, endothelial hsa00220; hsa00330; hsa01100; hsa04020; hsa04022; hsa04066; hsa04071; hsa04151; hsa04370; hsa04371; hsa04611; hsa04915; hsa04921; hsa04926; hsa04931; hsa04933; hsa05418 1M9J; 1M9K; 1M9M; 1M9Q; 1M9R; 1NIW; 2LL7; 2MG5; 3EAH; 3NOS; 4D1O; 4D1P 19.4%
14 FNTB P49356 Protein farnesyltransferase subunit beta NA 1JCQ; 1LD7; 1LD8; 1MZC; 1S63; 1SA4; 1TN6; 2F0Y; 2H6F; 2H6G; 2H6H; 2H6I; 2IEJ; 3E37 19.2%
15 IL2 P60568 Interleukin-2 hsa04060; hsa04151; hsa04625; hsa04630; hsa04658; hsa04659; hsa04660; hsa04672; hsa04940; hsa05142; hsa05162; hsa05166; hsa05200; hsa05320; hsa05321; hsa05330; hsa05332 18.7%
16 HMOX1 P09601 Heme oxygenase 1 hsa00860; hsa01100; hsa04066; hsa04216; hsa04978; hsa05200; hsa05206; hsa05225; hsa05418 18.7%
17 TLR9 Q9NR96 Toll-like receptor 9 hsa04620; hsa05142; hsa05143; hsa05144; hsa05152; hsa05162; hsa05168 NA 18.6%
18 SIGMAR1 Q5T1J1 HCG20471, isoform CRA_c NA NA 18.1%
19 NR1H4 Q96RI1 Bile acid receptor hsa04976 18.1%
20 TUBA1A Q71U36 Tubulin alpha-1A chain hsa04145; hsa04210; hsa04530; hsa04540; hsa05130 5JCO 17.4%


  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.