Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3456595 | 0.89 | CYP2A6 (0.50) | CYP2A6ALDH1A1KIF11MCL1DRD1 | |
| SCHEMBL11322374 | 0.80 | CYP2A6 (0.45) | CYP2A6ALDH1A1KIF11DRD1ALDH1A3 | |
| SCHEMBL258580 | 0.77 | ALDH1A1 (0.48) | CYP2A6ALDH1A1KIF11DRD1TYR | |
| SCHEMBL30185443 | 0.74 | ALDH1A1 (0.61) | CYP2A6ALDH1A1KIF11DRD1TSHR | |
| SCHEMBL3360913 | 0.74 | CYP2A6 (0.46) | CYP2A6ALDH1A1KIF11DRD1BRD4 | |
| SCHEMBL30185445 | 0.74 | ALDH1A1 (0.61) | CYP2A6ALDH1A1KIF11DRD1TSHR | |
| SCHEMBL3362775 | 0.74 | ALDH1A1 (0.61) | CYP2A6ALDH1A1KIF11DRD1TSHR | |
| SCHEMBL40336 | 0.74 | — | — | |
| SCHEMBL29419590 | 0.74 | — | — | |
| SCHEMBL5734465 | 0.73 | TRIM24 (0.54) | CYP2A6ALDH1A1MCL1DRD1BRD4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1326841-A1 | PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS | SmithKline Beecham P.L.C. (GB) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002030904-A1 | PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-04-18 | — | — | WO | disclosed |