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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: DB01035
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved SmallMoleculeDrug DB01035 Procainamide Thumb


3 known interactions (targets) of input drug (DB01035): Procainamide
No. Gene UniProt ID Protein Name Pathway PDB
1 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN
2 DNMT1 P26358 DNA (cytosine-5)-methyltransferase 1 hsa00270; hsa01100; hsa05206 3EPZ; 3PTA; 3SWR; 4WXX; 4YOC
3 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA


20 predicted interactions (targets) of input drug (DB01035): Procainamide
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 31.1%
2 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 30.8%
3 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 25.8%
4 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 25.2%
5 ADRB2 P07550 Beta-2 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04923; hsa04924; hsa04970 1GQ4; 2R4R; 2R4S; 2RH1; 3D4S; 3KJ6; 3NY8; 3NY9; 3NYA; 3P0G; 3PDS; 3SN6; 4GBR; 4LDE; 4LDL; 4LDO; 4QKX 23.6%
6 KCND3 Q9UK17 Potassium voltage-gated channel subfamily D member 3 NA 1S1G; 2NZ0 22.8%
7 TYMS P04818 Thymidylate synthase hsa00240; hsa00670; hsa01100; hsa01523 22.5%
8 KCNQ1 P51787 Potassium voltage-gated channel subfamily KQT member 1 hsa04261; hsa04725; hsa04971; hsa04972; hsa04974; hsa05110 3BJ4; 3HFC; 3HFE; 4UMO; 4V0C 21.3%
9 ALB P02768 Serum albumin hsa04918 20.6%
10 SLCO1B3 Q9NPD5 Solute carrier organic anion transporter family member 1B3 hsa04976 NA 20.3%
11 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW 19.8%
12 KCNH7 Q9NS40 Potassium voltage-gated channel subfamily H member 7 NA NA 19.3%
13 KCNA5 P22460 Potassium voltage-gated channel subfamily A member 5 NA NA 19.1%
14 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 18.5%
15 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 18.1%
16 HRH3 Q9Y5N1 Histamine H3 receptor hsa04080 NA 17.8%
17 CACNA1I Q9P0X4 Voltage-dependent T-type calcium channel subunit alpha-1I hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 17.3%
18 KCND2 Q9NZV8 Potassium voltage-gated channel subfamily D member 2 hsa04726 NA 17.1%
19 KCNH6 Q9H252 Potassium voltage-gated channel subfamily H member 6 NA NA 17.1%
20 ORM2 P19652 Alpha-1-acid glycoprotein 2 NA 3APU; 3APV; 3APW; 3APX 16.9%



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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.