Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17505335 | 0.79 | CYP19A1 (0.31) | CYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14822502 | 0.77 | ALDH1A1 (0.35) | CYP19A1ALDH1A1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL11125187 | 0.77 | ALDH1A1 (0.35) | CYP19A1ALDH1A1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL3269617 | 0.77 | ALDH1A1 (0.35) | CYP19A1ALDH1A1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL3225241 | 0.77 | ALDH1A1 (0.35) | CYP19A1ALDH1A1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL11125192 | 0.77 | ALDH1A1 (0.35) | CYP19A1ALDH1A1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL39157 | 0.77 | ALDH1A1 (0.35) | CYP19A1ALDH1A1L3MBTL1CYP3A4CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL4243822 | 0.76 | ALDH1A1 (0.35) | CYP19A1ALDH1A1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL13148362 | 0.73 | CNR2 (0.34) | CYP19A1ALDH1A1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL13779814 | 0.72 | MAPK1 (0.38) | CYP19A1ALDH1A1 |
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-2700636-B1 | PROCESS FOR PREPARING EPISULFIDE COMPOUNDS | ASAHI CHEMICAL IND (JP) | 2017-08-02 | — | — | EP | disclosed |