Predicted Drug-Target interactions for e dataset

Top-50 predictions

14 out of top-50 predictions were validated. In total, 502 validated new DTIs are known for e dataset.

RankDrugTargetScoreValidatedKEGGDrugBankMatador
1 D00542 ( Halothane ) hsa1571 ( cytochrome P450 family 2 subfamily E member 1 ) 0.989623 1 0 0 1
2 D00437 ( Nifedipine ) hsa1559 ( cytochrome P450 family 2 subfamily C member 9 ) 0.988215 1 0 0 1
3 D00691 ( Dyphylline ) hsa5152 ( phosphodiesterase 9A ) 0.987025 0 0 0 0
4 D00537 ( Topiramate ) hsa759 ( carbonic anhydrase 1 ) 0.985885 0 0 0 0
5 D02441 ( Ethoxzolamide ) hsa760 ( carbonic anhydrase 2 ) 0.984629 1 1 0 0
6 D00771 ( Chlorzoxazone ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.984025 0 0 0 0
7 D00252 ( Carbamazepine ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.983918 0 0 0 0
8 D00454 ( Olanzapine ) hsa1576 ( cytochrome P450 family 3 subfamily A member 4 ) 0.983659 0 0 0 0
9 D00771 ( Chlorzoxazone ) hsa1557 ( cytochrome P450 family 2 subfamily C member 19 ) 0.983577 0 0 0 0
10 D00139 ( Methoxsalen ) hsa1543 ( cytochrome P450 family 1 subfamily A member 1 ) 0.98278 1 0 0 1
11 D00947 ( Linezolid ) hsa4129 ( monoamine oxidase B ) 0.982769 0 0 0 0
12 D00188 ( Cholecalciferol ) hsa1594 ( cytochrome P450 family 27 subfamily B member 1 ) 0.982516 0 0 0 0
13 D00387 ( Triazolam ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.982502 0 0 0 0
14 D00550 ( Midazolam ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.982094 0 0 0 0
15 D00364 ( Loratadine ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.982047 0 0 0 0
16 D05458 ( Phentermine ) hsa4128 ( monoamine oxidase A ) 0.981809 1 0 1 0
17 D00771 ( Chlorzoxazone ) hsa1559 ( cytochrome P450 family 2 subfamily C member 9 ) 0.981619 0 0 0 0
18 D00252 ( Carbamazepine ) hsa1557 ( cytochrome P450 family 2 subfamily C member 19 ) 0.981609 0 0 0 0
19 D02441 ( Ethoxzolamide ) hsa762 ( carbonic anhydrase 4 ) 0.981276 1 1 0 0
20 D00322 ( Fluconazole ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.981222 0 0 0 0
21 D00097 ( Salicylic acid ) hsa5743 ( prostaglandin-endoperoxide synthase 2 ) 0.981208 1 0 1 1
22 D00410 ( Metyrapone ) hsa1543 ( cytochrome P450 family 1 subfamily A member 1 ) 0.98114 1 0 0 1
23 D00533 ( Oxcarbazepine ) hsa1559 ( cytochrome P450 family 2 subfamily C member 9 ) 0.981013 0 0 0 0
24 D00593 ( Glimepiride ) hsa1557 ( cytochrome P450 family 2 subfamily C member 19 ) 0.981008 0 0 0 0
25 D00596 ( Rosiglitazone maleate ) hsa1557 ( cytochrome P450 family 2 subfamily C member 19 ) 0.981004 0 0 0 0
26 D00533 ( Oxcarbazepine ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.980556 0 0 0 0
27 D00501 ( Pentoxifylline ) hsa5150 ( phosphodiesterase 7A ) 0.980214 0 0 0 0
28 D01118 ( Profenamine hydrochloride ) hsa43 ( acetylcholinesterase (Cartwright blood group) ) 0.980182 1 0 0 1
29 D01984 ( Esomeprazole magnesium ) hsa476 ( ATPase Na+/K+ transporting subunit alpha 1 ) 0.979999 0 0 0 0
30 D00596 ( Rosiglitazone maleate ) hsa1559 ( cytochrome P450 family 2 subfamily C member 9 ) 0.979629 1 0 0 1
31 D00252 ( Carbamazepine ) hsa1559 ( cytochrome P450 family 2 subfamily C member 9 ) 0.978769 0 0 0 0
32 D00771 ( Chlorzoxazone ) hsa1576 ( cytochrome P450 family 3 subfamily A member 4 ) 0.97811 0 0 0 0
33 D00882 ( Miconazole nitrate ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.977924 0 0 0 0
34 D00596 ( Rosiglitazone maleate ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.977905 0 0 0 0
35 D00536 ( Felbamate ) hsa1559 ( cytochrome P450 family 2 subfamily C member 9 ) 0.977887 0 0 0 0
36 D02671 ( Mesoridazine ) hsa1576 ( cytochrome P450 family 3 subfamily A member 4 ) 0.977755 0 0 0 0
37 D01973 ( Eletriptan hydrobromide ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.977618 0 0 0 0
38 D00416 ( Miconazole ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.977556 0 0 0 0
39 D00593 ( Glimepiride ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.97748 0 0 0 0
40 D00998 ( Neostigmine methylsulfate ) hsa590 ( butyrylcholinesterase ) 0.977361 1 0 0 1
41 D00691 ( Dyphylline ) hsa5150 ( phosphodiesterase 7A ) 0.977313 1 0 1 0
42 D00129 ( Calcitriol ) hsa1593 ( cytochrome P450 family 27 subfamily A member 1 ) 0.977263 0 0 0 0
43 D00691 ( Dyphylline ) hsa8654 ( phosphodiesterase 5A ) 0.977217 0 0 0 0
44 D00512 ( Phenytoin ) hsa1565 ( cytochrome P450 family 2 subfamily D member 6 ) 0.976803 1 0 0 1
45 D01164 ( Aripiprazole ) hsa1576 ( cytochrome P450 family 3 subfamily A member 4 ) 0.976623 0 0 0 0
46 D00449 ( Sulfinpyrazone ) hsa5742 ( prostaglandin-endoperoxide synthase 1 ) 0.97645 0 0 0 0
47 D00454 ( Olanzapine ) hsa1543 ( cytochrome P450 family 1 subfamily A member 1 ) 0.976326 0 0 0 0
48 D02558 ( Rivastigmine tartrate ) hsa590 ( butyrylcholinesterase ) 0.975956 1 1 1 0
49 D00300 ( Diphenhydramine ) hsa1576 ( cytochrome P450 family 3 subfamily A member 4 ) 0.975946 0 0 0 0
50 D00322 ( Fluconazole ) hsa1576 ( cytochrome P450 family 3 subfamily A member 4 ) 0.975823 0 0 0 0