Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9166347 | 1.00 | CYP3A4 (0.32) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9166344 | 1.00 | CYP3A4 (0.32) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9465931 | 0.88 | CYP3A4 (0.38) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9162060 | 0.88 | CYP3A4 (0.38) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9162056 | 0.88 | CYP3A4 (0.38) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8451617 | 0.86 | — | — | |
| SCHEMBL12976433 | 0.85 | — | — | |
| SCHEMBL12977096 | 0.84 | CYP3A4 (0.30) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9465849 | 0.84 | MAOB (0.35) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9159036 | 0.84 | MAOB (0.35) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 |
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-0442306-B1 | (4E-cyclohexyl-3-butenyl)phenyl derivatives | HOFFMANN LA ROCHE (CH) | 1995-04-12 | — | — | EP | claimed |