Table 7 Top-25 ranked novel DTIs predicted on the Enzyme data set by MOKPE
Drug ID | Drug name | Target ID | Target name | Validation source |
|---|---|---|---|---|
Data Set: E (R=50) | ||||
D00542 | Halothane | hsa1571 | CYP2E1 (Cytochrome P450 Family 2 Subfamily E Member 1) | KEGG & DRUGBANK & CTD |
D00377 | Mesalamine | hsa246 | ALOX15 (Arachidonate 15-Lipoxygenase) | None |
D00377 | Mesalamine | hsa239 | ALOX12 (Arachidonate 12-Lipoxygenase, 12S Type) | None |
D00377 | Mesalamine | hsa242 | ALOX12B (Arachidonate 12-Lipoxygenase, 12R Type) | None |
D00377 | Mesalamine | hsa4048 | LTA4H (Leukotriene A4 Hydrolase) | None |
D00377 | Mesalamine | hsa247 | ALOX15B (Arachidonate 15-Lipoxygenase Type B) | None |
D00574 | Aminoglutethimide | hsa1589 | CYP21A2 (Cytochrome P450 Family 21 Subfamily A Member 2) | None |
D00960 | Anastrozole | hsa1586 | CYP17A1 (Cytochrome P450 Family 17 Subfamily A Member 1) | None |
D01425 | Lopinavir | hsa1586 | CYP17A1 (Cytochrome P450 Family 17 Subfamily A Member 1) | None |
D00437 | Nifedipine | hsa1585 | CYP11B2 (Cytochrome P450 Family 11 Subfamily B Member 2) | CTD |
D03778 | Fadrozole hydrochloride hydrate | hsa1586 | CYP17A1 (Cytochrome P450 Family 17 Subfamily A Member 1) | None |
D00964 | Letrozole | hsa1586 | CYP17A1 (Cytochrome P450 Family 17 Subfamily A Member 1) | CTD |
D02451 | Fadrozole hydrochloride | hsa1586 | CYP17A1 (Cytochrome P450 Family 17 Subfamily A Member 1) | None |
D00139 | Methoxsalen | hsa1543 | CYP1A1 (Cytochrome P450 Family 1 Subfamily A Member 1) | DRUGBANK & CTD |
D00691 | Dyphylline | hsa5152 | PDE9A (Phosphodiesterase 9A) | None |
D03781 | Liarozole fumarate | hsa1589 | CYP21A2 (Cytochrome P450 Family 21 Subfamily A Member 2) | None |
D00960 | Anastrozole | hsa1589 | CYP21A2 (Cytochrome P450 Family 21 Subfamily A Member 2) | None |
D03781 | Liarozole fumarate | hsa284541 | CYP4A22 (Cytochrome P450 Family 4 Subfamily A Member 22) | None |
D03784 | Liarozole hydrochloride | hsa1589 | CYP21A2 (Cytochrome P450 Family 21 Subfamily A Member 2) | None |
D00960 | Anastrozole | hsa284541 | CYP4A22 (Cytochrome P450 Family 4 Subfamily A Member 22) | None |
D03781 | Liarozole fumarate | hsa8529 | CYP4F2 (Cytochrome P450 Family 4 Subfamily F Member 2) | None |
D00960 | Anastrozole | hsa8529 | CYP4F2 (Cytochrome P450 Family 4 Subfamily F Member 2) | None |
D03781 | Liarozole fumarate | hsa4051 | CYP4F3 (Cytochrome P450 Family 4 Subfamily F Member 3) | None |
D00964 | Letrozole | hsa1589 | CYP21A2 (Cytochrome P450 Family 21 Subfamily A Member 2) | None |
D00960 | Anastrozole | hsa4051 | CYP4F3 (Cytochrome P450 Family 4 Subfamily F Member 3) | None |