Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 18/20 | 0.45 |
| ▸ | RARB | P10826 | 17/20 | 0.45 |
| ▸ | RARG | P13631 | 17/20 | 0.45 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8772741 | 0.93 | RARA (0.53) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8772626 | 0.84 | RARA (0.62) | RARARARBRARG | |
| SCHEMBL7640578 | 0.83 | RARA (0.58) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8772660 | 0.81 | RARA (0.53) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8772792 | 0.81 | RARB (0.61) | RARARARBRARG | |
| SCHEMBL7637516 | 0.79 | RARA (0.68) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8772762 | 0.78 | RARA (0.41) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8772731 | 0.76 | RARA (0.50) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8580705 | 0.76 | RARB (0.65) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL7640517 | 0.74 | RARB (0.67) | RARARARBRARGCYP26A1CYP3A4 |
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-0800517-A1 | ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | Allergan (US) | 1997-10-15 | — | — | EP | disclosed |