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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: DB00772
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00772 Malathion Thumb


1 known interactions (targets) of input drug (DB00772): Malathion
No. Gene UniProt ID Protein Name Pathway PDB
1 BCHE P06276 Cholinesterase NA


12 predicted interactions (targets) of input drug (DB00772): Malathion
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE 35.8%
2 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 14.9%
3 TOP1 P11387 DNA topoisomerase 1 NA 1A31; 1A35; 1A36; 1EJ9; 1K4S; 1K4T; 1LPQ; 1NH3; 1R49; 1RR8; 1RRJ; 1SC7; 1SEU; 1T8I; 1TL8 12.8%
4 TOP2A P11388 DNA topoisomerase 2-alpha hsa01524 1LWZ; 1ZXM; 1ZXN; 4FM9; 4R1F 12.3%
5 KIF11 P52732 Kinesin-like protein KIF11 NA 11.7%
6 DHRS4L1 P0CG22 Putative dehydrogenase/reductase SDR family member 4-like 1 NA NA 11.6%
7 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
 11.0%
8 TOP1MT Q969P6 DNA topoisomerase I, mitochondrial NA NA 10.9%
9 S100A13 Q99584 Protein S100-A13 NA 1YUR; 1YUS; 1YUT; 1YUU; 2EGD; 2H2K; 2K8M; 2KI4; 2KI6; 2KOT; 2L5X; 2LE9 10.6%
10 CASP3 P42574 Caspase-3 hsa01524; hsa04010; hsa04115; hsa04210; hsa04215; hsa04650; hsa04657; hsa04668; hsa04726; hsa04932; hsa04933; hsa05010; hsa05012; hsa05014; hsa05016; hsa05120; hsa05133; hsa05134; hsa05145; hsa05146; hsa05152; hsa05161; hsa05163; hsa05165; hsa05167; hsa05168; hsa05170; hsa05200; hsa05203; hsa05205; hsa05206; hsa05210; hsa05222; hsa05416 10.5%
11 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN 10.3%
12 MARCO Q9UEW3 Macrophage receptor MARCO hsa04145 NA 10.2%


  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.