Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2699301 | 0.76 | CYP19A1 (0.49) | CYP19A1CYP3A4CYP2C19 | |
| SCHEMBL2701279 | 0.73 | ALDH1A1 (0.44) | CYP19A1ALDH1A1HSP90AA1SMN1; SMN2HSD17B10 | |
| SCHEMBL9821437 | 0.71 | CYP19A1 (0.50) | CYP26A1CYP19A1ALDH1A1GAAHSP90AA1 | |
| SCHEMBL825684 | 0.70 | CYP1A2 (0.38) | CYP26A1CYP19A1ALDH1A1GAACYP1A2 | |
| SCHEMBL6663174 | 0.68 | ALDH1A1 (0.53) | ALDH1A1GAASMN1; SMN2CYP3A4CYP2C9 | |
| Diphenylamine SCHEMBL19347159 | 0.68 | CYP26A1 (0.53) | CYP26A1CYP19A1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1118125 | 0.67 | NOTUM (0.45) | ALDH1A1CYP1A2SMN1; SMN2CTSDTDP1 | |
| SCHEMBL5114471 | 0.66 | MAPK10 (0.53) | CYP26A1CYP19A1ALDH1A1HSP90AA1CYP1A2 | |
| SCHEMBL23875581 | 0.64 | CYP19A1 (0.51) | CYP19A1ALDH1A1HSP90AA1SMN1; SMN2TDP1 | |
| SCHEMBL6445730 | 0.64 | CYP1A2 (0.40) | CYP19A1ALDH1A1GAACYP1A2CYP3A4 |
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-2001087845-A2 | N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-22 | — | — | WO | disclosed |