Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | ADK | P55263 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | VCP | P55072 | 6/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL3819295 | 0.81 | AR (0.48) | CYP1A2CYP3A4CYP19A1CYP2C19ALDH1A1 | |
| SCHEMBL3817722 | 0.81 | MAPT (0.43) | ALDH1A1AR | |
| SCHEMBL3820055 | 0.81 | ALDH1A1 (0.48) | CYP1A2CYP3A4CYP2C19ALDH1A1AR | |
| SCHEMBL3815007 | 0.80 | AR (0.44) | CYP1A2CYP3A4CYP2C19ALDH1A1AR | |
| SCHEMBL3818288 | 0.79 | MAPT (0.48) | KDM4EALDH1A1AR | |
| SCHEMBL3815985 | 0.78 | LIPE (0.41) | ALDH1A1AR | |
| SCHEMBL3815729 | 0.77 | HPGD (0.51) | ALDH1A1 | |
| SCHEMBL3813194 | 0.76 | RAB9A (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3824010 | 0.76 | ADRB1 (0.45) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3819250 | 0.75 | NPC1 (0.42) | CYP1A2CYP3A4CYP2C19ALDH1A1AR |
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-1513802-B1 | ALPHA-SULFONYLAMINO-ACETONITRILES | SYNGENTA PARTICIPATIONS AG (CH) | 2009-08-19 | — | — | EP | claimed |