Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.57 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.57 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 3/20 | 0.46 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.46 |
| ▸ | TEK | Q02763 | 2/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | BRS3 | P32247 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12413787 | 0.86 | MKNK1 (0.61) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL23514716 | 0.85 | CYP2A6 (0.59) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL13878057 | 0.83 | CYP2A6 (0.67) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL13003924 | 0.82 | MKNK1 (0.56) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL23919252 | 0.80 | CYP2A6 (0.53) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL933922 | 0.77 | MKNK1 (0.55) | CYP2A6MKNK1MKNK2TBXAS1 | |
| SCHEMBL1622170 | 0.77 | CYP2A6 (0.67) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL15531517 | 0.77 | CYP2A6 (0.67) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL13428847 | 0.75 | CYP2A6 (0.56) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL24534338 | 0.75 | CYP2A6 (0.88) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5945436-A | Pyridylmethyl nitriles, amides and thioamides useful as fungicides | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1999-08-31 | — | — | US | disclosed |
| WO-1997036870-A1 | PYRIDYLMETHYL NITRILES, AMIDES AND THIOAMIDES USEFUL AS FUNGICIDES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1997-10-09 | — | — | WO | disclosed |