Table 11 Top 10 predicted novel interactions in the ENZ dataset performed by DTIOG-BaggingClassifier, with supporting evidence from external databases
Rank | Drugbank ID | Drug name | Uniprot ID | Target name | Evidence |
|---|---|---|---|---|---|
1 | DB00586 | Diclofenac | P05164 | Myeloperoxidase | CTD |
2 | DB00312 | Pentobarbital | P12931 | Proto-oncogene tyrosine-protein kinase Src | KEGG |
3 | DB00201 | Caffeine | P20853 | Cytochrome P450 2A7 | None |
4 | DB00312 | Pentobarbital | P06276 | Cholinesterase | None |
5 | DB00201 | Caffeine | P14060 | 3 beta-hydroxysteroid dehydrogenase/Delta 5–>4-isomerase type 1 | CTD |
6 | DB00201 | Caffeine | Q13946 | High affinity cAMP-specific 3’,5’-cyclic phosphodiesterase 7A | DrugBank |
7 | DB00564 | Carbamazepine | Q92813 | Type II iodothyronine deiodinase | None |
8 | DB01907 | NADH | O94788 | Retinal dehydrogenase 2 | None |
9 | DB00432 | Trifluridine | Q92813 | Type II iodothyronine deiodinase | None |
10 | DB01115 | Nifedipine | P11712 | Cytochrome P450 2C9 | DrugBank, ChEMBL |