Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | AOC1 | P19801 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 4/20 | 0.35 |
| ▸ | KDR | P35968 | 4/20 | 0.35 |
| ▸ | AR | P10275 | 3/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 2/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | CCR9 | P51686 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6173183 | 0.91 | CYP3A4 (0.39) | CYP3A4GAACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6172191 | 0.88 | AOC1 (0.38) | CYP3A4GAACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6171757 | 0.87 | CYP3A4 (0.41) | CYP3A4GAACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6176657 | 0.86 | CYP3A4 (0.40) | CYP3A4GAACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6175495 | 0.86 | CYP3A4 (0.36) | CYP3A4GAACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6173695 | 0.85 | ITGAL (0.40) | CYP3A4GAACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6175766 | 0.84 | AOC1 (0.40) | CYP3A4GAACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6172435 | 0.84 | POLB (0.38) | CYP3A4GAACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6174775 | 0.84 | CYP3A4 (0.38) | CYP3A4GAACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6207150 | 0.84 | CCR9 (0.44) | CYP3A4GAACYP2C9CYP2C19ALDH1A1 |
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-1599464-A2 | NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS | Aventis Pharma S.A. (FR) | 2005-11-30 | — | — | EP | disclosed |
| WO-2004070050-A2 | CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS | AVENTIS PHARMA S.A. (FR) | 2004-08-19 | — | — | WO | disclosed |