Table 3 Fifteen novel ‘top 1’ predictions over the whole ion channel dataset
From: DASPfind: new efficient method to predict drug–target interactions
Pair | chemID (KEGG) | chemName | protID (KEGG) | protName | Score | Evidence | Type of evidence |
|---|---|---|---|---|---|---|---|
1 | D00538 | Zonisamide | 6331 | SCN5A | 177.46 | [KEGG: D00538, PMID: 20025128] | Inferred |
2 | D00552 | Benzocaine | 6331 | SCN5A | 145.43 | [KEGG: D00552, PMID: 22874086] | Direct |
3 | D00294 | Diazoxide | 6328 | SCN3A | 119 | NA | |
4 | D00438 | Nimodipine | 779 | CACNA1S | 79.37 | [DrugBank: DB00393, PMID: 17705883] | Inferred |
5 | D03365 | Nicotine | 1137 | CHRNA4 | 72.05 | [PMID: 20061993] | Direct |
6 | D00649 | Amiloride hydrochloride | 55800 | SCN3B | 67 | Matador (http://matador.embl.de/proteins/9606.ENSP00000299333/) | Inferred |
7 | D00648 | Ibutilide fumarate | 779 | CACNA1S | 52.08 | NA | |
8 | D05024 | Mibefradil dihydrochloride | 775 | CACNA1C | 52 | [GeneCards: CACNA1C, PMID: 16306443] | Inferred |
9 | D00733 | Dibucaine | 6328 | SCN3A | 50.22 | [KEGG: D00733, Drug2Gene: 103927525] | Inferred |
10 | D00110 | Cocaine | 6328 | SCN3A | 50.21 | [KEGG: hsa6328, PMID: 22185904] | Inferred |
11 | D00616 | Diltiazem hydrochloride | 776 | CACNA1D | 49.31 | [SuperTarget: has776, PubChem: CID39186] | Inferred |
12 | D03830 | Diltiazem malate | 776 | CACNA1D | 49.31 | [KEGG: D03830, PMID: 17949410] | Direct |
13 | D00619 | Verapamil hydrochloride | 778 | CACNA1F | 41.25 | [DrugBank: DB00661], unpublished data ( http://edoc.ub.uni-muenchen.de/5321/ ) | Direct |
14 | D01108 | Magnesium sulfate | 779 | CACNA1S | 38.08 | [DrugBank: DB00653] | Inferred |
15 | D01969 | Gallopamil hydrochloride | 778 | CACNA1F | 34.07 | NA |