Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 20/20 | 0.63 |
| ▸ | RARB | P10826 | 19/20 | 0.63 |
| ▸ | RARG | P13631 | 19/20 | 0.63 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8772545 | 0.88 | RARB (0.63) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8915318 | 0.87 | RARA (0.48) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8901315 | 0.84 | RARA (0.64) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8901265 | 0.82 | RARB (0.63) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8772575 | 0.81 | RARA (0.68) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8772544 | 0.80 | RARA (0.55) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8772563 | 0.79 | RARA (0.42) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL7642416 | 0.79 | RARB (0.71) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL8711444 | 0.78 | RARB (0.61) | RARARARBRARG | |
| SCHEMBL8772538 | 0.76 | RARA (0.52) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5618931-A | SKIN DISORDERS, ANTIINFLAMMATORY AGENTS | ALLERGAN | 1997-04-08 | — | — | US | disclosed |
| WO-1996020930-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) | 1996-07-11 | — | — | WO | disclosed |