Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.35 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3737915 | 0.84 | CYP2A6 (0.44) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13078833 | 0.76 | ALDH1A1 (0.45) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL22421808 | 0.75 | CYP2A6 (0.45) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9826144 | 0.75 | CYP2A6 (0.47) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL25952921 | 0.75 | CYP1A2 (0.41) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29935775 | 0.75 | CYP2A6 (0.47) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9432780 | 0.74 | KDM4E (0.34) | KDM4EALDH1A1 | |
| SCHEMBL4556266 | 0.74 | KDM4E (0.47) | CYP2A6GRM4KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL19979961 | 0.73 | MYC (0.53) | CYP2A6CYP2C9KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL9825073 | 0.72 | CA1 (0.44) | CYP2A6GRM4KDM4EALDH1A1SMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007109459-A2 | PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN | JANSSEN PHARMACEUTICA, NV (BE) | 2007-09-27 | — | — | WO | disclosed |