Table 1 Plausible target profiling of drug scaffold 1 resulting from 2D-similarity based chemocentric network, CSNAP.
No. | Representative Structures | ChEMBL_ID | Target Protein | CTD Gene Symbol | Max T | Frequency |
|---|---|---|---|---|---|---|
1 |
| CHEMBL105049 | Brain glycogen phosphorylase | PYGB | 0.635 | 5 |
2 |
| CHEMBL1095750 | Metabotropic glutamate receptor 2 | GRM2 | 0.618 | 2 |
3 |
| CHEMBL1221817 | Histone deacetylase | HDA | 0.617 | 2 |
4 |
| CHEMBL15153 | Histamine H1/H2/H3 receptor, Histamine N-methyltransferase | HRH, HNMT | 0.680 | 4 |
5 |
| CHEMBL1800404 | Isoprenylcysteine carboxyl methyltransferase | ICMT | 0.692 | 16 |
6 |
| CHEMBL1822855 | HERG, Histamine H3 receptor | KCNH, HRH3 | 0.667 | 4 |
7 |
| CHEMBL2430315 | Sodium/glucose cotransporter 2 | SLC5A2 | 0.623 | 1 |
8 |
| CHEMBL262464 | Human immunodeficiency virus type 1 protease | POL | 0.623 | 4 |
9 |
| CHEMBL271392 | Peroxisome proliferator-activated receptor α, δ, γ | PPAR | 0.646 | 5 |
10 |
| CHEMBL33295 | Monoamine oxidase A | MAOA | 0.623 | 2 |
11 |
| CHEMBL352737 | Dipeptidyl peptidase II, IV, Prolyl endopeptidase | DPF, PREP | 0.603 | 2 |
12 |
| CHEMBL477276 | Leukotriene A4 hydrolase | LTA4H | 0.600 | 2 |
13 |
| CHEMBL479623 | Neuronal acetylcholine receptor protein alpha-4/7/3 subunit | CHRNA | 0.609 | 1 |
14 |
| CHEMBL495707 | Oestrogen receptors α and β | ESR | 0.600 | 1 |
15 |
| CHEMBL52167 | Serotonin 4 (5-HT4) receptor | HTR4 | 0.660 | 9 |
16 |
| CHEMBL66093 | Coagulation factor X | F10 | 0.645 | 2 |
