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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: DB01195
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Withdrawn
SmallMoleculeDrug DB01195 Flecainide Thumb


3 known interactions (targets) of input drug (DB01195): Flecainide
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 SCN4A P35499 Sodium channel protein type 4 subunit alpha NA NA
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 (DB01195): Flecainide
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 SCN9A Q15858 Sodium channel protein type 9 subunit alpha hsa04742 NA 38.0%
2 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 36.2%
3 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 31.4%
4 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW 30.4%
5 SCN1A P35498 Sodium channel protein type 1 subunit alpha hsa04728 NA 30.0%
6 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 29.9%
7 SCN11A Q9UI33 Sodium channel protein type 11 subunit alpha NA NA 29.7%
8 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 28.9%
9 KCND3 Q9UK17 Potassium voltage-gated channel subfamily D member 3 NA 1S1G; 2NZ0 28.5%
10 SCN10A Q9Y5Y9 Sodium channel protein type 10 subunit alpha NA NA 28.1%
11 PRSS1 P07477 Trypsin-1 hsa04080; hsa04972; hsa04974; hsa05164 1FXY; 1TRN; 2RA3; 4WWY; 4WXV 28.0%
12 ORM2 P19652 Alpha-1-acid glycoprotein 2 NA 3APU; 3APV; 3APW; 3APX 27.9%
13 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 27.8%
14 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 27.1%
15 ORM1 P02763 Alpha-1-acid glycoprotein 1 NA 3KQ0 27.0%
16 SCN2A Q99250 Sodium channel protein type 2 subunit alpha hsa04742 2KAV; 4JPZ 26.6%
17 KCNK1 O00180 Potassium channel subfamily K member 1 NA 3UKM 25.9%
18 SCN1B Q07699 Sodium channel subunit beta-1 hsa04261 NA 25.1%
19 SCN4B Q8IWT1 Sodium channel subunit beta-4 hsa04261 4MZ2; 4MZ3 25.1%
20 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 24.7%



  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.