Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 12/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL386070 | 0.85 | CYP2A6 (0.41) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL38500 | 0.82 | CYP2A6 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL7875042 | 0.78 | MAPT (0.43) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL6104498 | 0.76 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL10852859 | 0.76 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL11358625 | 0.76 | CYP2A6 (0.51) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL9958676 | 0.76 | CYP19A1 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL5544009 | 0.76 | IDO1 (0.44) | CYP3A4KDM4ETP53CYP11B2 | |
| SCHEMBL29419014 | 0.74 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL30473120 | 0.74 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0154190-A1 | Pyridones | MERCK PATENT GmbH (DE) | 1985-09-11 | — | — | EP | disclosed |