Table 1.
Examples of extracted chemogenomic features by the L1LOG method
| Rank | Weight | Substrucure ID Domain ID |
PubChem substructure definition PFAM domain definition |
|---|---|---|---|
| 1 | 2.1468 | SUB158 | >= 3 any ring size 5 |
| 1 | 2.1468 | PF00106 | short chain dehydrogenase |
| 2 | 2.1118 | SUB414 | S(~C)(~H) |
| 2 | 2.1118 | PF00255 | Glutathione peroxidase |
| 3 | 1.9413 | SUB158 | >= 3 any ring size 5 |
| 3 | 1.9413 | PF01126 | Heme oxygenase |
| 4 | 1.8035 | SUB686 | O = C-C-C-C-N |
| 4 | 1.8035 | PF01094 | Receptor family ligand binding region |
| 5 | 1.7707 | SUB687 | O = C-C-C-C-O |
| 5 | 1.7707 | PF03171 | 2OG-Fe(II), oxygenase superfamily |
| 6 | 1.7514 | SUB348 | C(~C)(~H)(~O)(~O) |
| 6 | 1.7514 | PF03414 | Glycosyltransferase family 6 |
| 7 | 1.6343 | SUB387 | C(:C)(:C)(:N) |
| 7 | 1.6343 | PF00042 | Globin |
| 8 | 1.6299 | SUB409 | O(~H)(~S) |
| 8 | 1.6299 | PF00167 | Fibroblast growth factor |
| 9 | 1.5807 | SUB32 | >= 2 P |
| 9 | 1.5807 | PF00348 | Polyprenyl synthetase |
| 10 | 1.5797 | SUB567 | O-C-C-N |
| 10 | 1.5797 | PF00464 | Serine hydroxymethyltransferase |
| 11 | 1.5105 | SUB309 | O-H |
| 11 | 1.5105 | PF00102 | Protein-tyrosine phosphatase |
| 12 | 1.5065 | SUB433 | C(-C)(-C)(= O) |
| 12 | 1.5065 | PF02518 | Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase |
| 13 | 1.5033 | SUB449 | C(-H)(= O) |
| 13 | 1.5033 | PF00107 | Zinc-binding dehydrogenase |
| 14 | 1.4956 | SUB695 | O = C-C-C-C-C = O |
| 14 | 1.4956 | PF00551 | Formyl transferase |
| 15 | 1.4784 | SUB433 | C(-C)(-C)(= O) |
| 15 | 1.4784 | PF07884 | Vitamin K epoxide reductase family |