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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: DB13269
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB13269 Dichlorobenzyl alcohol Thumb


14 known interactions (targets) of input drug (DB13269): Dichlorobenzyl alcohol
No. Gene UniProt ID Protein Name Pathway PDB
1 SCN3B Q9NY72 Sodium channel subunit beta-3 NA 4L1D
2 SCN8A Q9UQD0 Sodium channel protein type 8 subunit alpha NA NA
3 SCN2A Q99250 Sodium channel protein type 2 subunit alpha hsa04742 2KAV; 4JPZ
4 SCN2B O60939 Sodium channel subunit beta-2 NA NA
5 SCN9A Q15858 Sodium channel protein type 9 subunit alpha hsa04742 NA
6 SCN7A Q01118 Sodium channel protein type 7 subunit alpha hsa04261 NA
7 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN
8 SCN10A Q9Y5Y9 Sodium channel protein type 10 subunit alpha NA NA
9 SCN1A P35498 Sodium channel protein type 1 subunit alpha hsa04728 NA
10 SCN4A P35499 Sodium channel protein type 4 subunit alpha NA NA
11 SCN4B Q8IWT1 Sodium channel subunit beta-4 hsa04261 4MZ2; 4MZ3
12 SCN1B Q07699 Sodium channel subunit beta-1 hsa04261 NA
13 SCN3A Q9NY46 Sodium channel protein type 3 subunit alpha hsa04742 NA
14 SCN11A Q9UI33 Sodium channel protein type 11 subunit alpha NA NA


20 predicted interactions (targets) of input drug (DB13269): Dichlorobenzyl alcohol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 SV2A Q7L0J3 Synaptic vesicle glycoprotein 2A hsa04512 4V11 50.9%
2 ACADSB P45954 Short/branched chain specific acyl-CoA dehydrogenase, mitochondrial hsa00071; hsa00280; hsa01100; hsa01212 2JIF 40.3%
3 OGDH Q02218 2-oxoglutarate dehydrogenase, mitochondrial hsa00020; hsa00310; hsa00380; hsa01100; hsa01200 3ERY 38.4%
4 ALDH5A1 P51649 Succinate-semialdehyde dehydrogenase, mitochondrial hsa00250; hsa00650; hsa01100 2W8N; 2W8O; 2W8P; 2W8Q; 2W8R 37.5%
5 HDAC9 Q9UKV0 Histone deacetylase 9 hsa05034; hsa05165; hsa05203 NA 36.4%
6 PPARA Q07869 Peroxisome proliferator-activated receptor alpha hsa03320; hsa04024; hsa04920; hsa04922; hsa04931; hsa04932; hsa05160 1I7G; 1K7L; 1KKQ; 2NPA; 2P54; 2REW; 2ZNN; 3ET1; 3FEI; 3G8I; 3KDT; 3KDU; 3SP6; 3VI8; 4BCR; 4CI4 34.7%
7 CA8 P35219 Carbonic anhydrase-related protein hsa00910 2W2J 31.7%
8 ABAT P80404 4-aminobutyrate aminotransferase, mitochondrial hsa00250; hsa00280; hsa00410; hsa00640; hsa00650; hsa01100; hsa04727 NA 31.3%
9 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 30.5%
10 CA11 O75493 Carbonic anhydrase-related protein 11 NA NA 30.3%
11 CACNA1I Q9P0X4 Voltage-dependent T-type calcium channel subunit alpha-1I hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 29.7%
12 CA7 P43166 Carbonic anhydrase 7 hsa00910 3MDZ; 3ML5 29.2%
13 CACNA1H O95180 Voltage-dependent T-type calcium channel subunit alpha-1H hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 29.1%
14 CA10 Q9NS85 Carbonic anhydrase-related protein 10 NA NA 29.0%
15 CACNA1G O43497 Voltage-dependent T-type calcium channel subunit alpha-1G hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04930; hsa04934 NA 28.8%
16 CA13 Q8N1Q1 Carbonic anhydrase 13 hsa00910 3CZV; 3D0N; 3DA2; 4HU1; 4KNM; 4KNN; 4QIZ; 4QJP; 4QJX; 4QSJ 28.0%
17 HDAC2 Q92769 Histone deacetylase 2 hsa04110; hsa04213; hsa04330; hsa04919; hsa05016; hsa05034; hsa05165; hsa05169; hsa05200; hsa05202; hsa05203; hsa05220 3MAX; 4LXZ; 4LY1 26.4%
18 CA6 P23280 Carbonic anhydrase 6 hsa00910 3FE4 24.5%
19 CA14 Q9ULX7 Carbonic anhydrase 14 hsa00910 4LU3; 5CJF 23.5%
20 CA5B Q9Y2D0 Carbonic anhydrase 5B, mitochondrial hsa00910 NA 23.4%


  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.