Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL9631133 | 0.99 | CYP3A4 (0.31) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9630538 | 0.99 | CYP3A4 (0.31) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9630243 | 0.92 | RARB (0.33) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9631304 | 0.92 | RARB (0.38) | — | |
| SCHEMBL9630253 | 0.92 | CHRM2 (0.31) | — | |
| SCHEMBL9632544 | 0.91 | RARB (0.39) | S1PR3 | |
| SCHEMBL9630364 | 0.91 | RARB (0.39) | S1PR3 | |
| SCHEMBL9630345 | 0.91 | RARB (0.39) | S1PR3 | |
| SCHEMBL9632665 | 0.91 | RARB (0.35) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9631056 | 0.91 | RARB (0.39) | S1PR3 |
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-0364538-B1 | DIFLUOROBENZOL DERIVATIVES | MERCK PATENT GmbH (DE) | 1992-05-06 | — | — | EP | disclosed |