Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.71 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.71 |
| ▸ | RARB | P10826 | 13/20 | 0.58 |
| ▸ | RARG | P13631 | 13/20 | 0.58 |
| ▸ | RARA | P10276 | 12/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | RXRA | P19793 | 11/20 | 0.45 |
| ▸ | RXRB | P28702 | 7/20 | 0.45 |
| ▸ | RXRG | P48443 | 7/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1485833 | 0.88 | RARA (0.75) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9318320 | 0.86 | RXRA (0.58) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL6669248 | 0.85 | CYP26A1 (0.52) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL8890100 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9337024 | 0.83 | CYP3A4 (0.84) | CYP3A4CYP26A1RARBRARGRARA | |
| Tazarotenic Acid SCHEMBL678713 | 0.83 | CYP3A4 (1.00) | CYP3A4CYP26A1RARBRARGRARA | |
| Tazarotenic Acid SCHEMBL29466098 | 0.83 | CYP3A4 (1.00) | CYP3A4CYP26A1RARBRARGRARA | |
| Tazarotenic Acid SCHEMBL29433140 | 0.83 | CYP3A4 (1.00) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL6663854 | 0.81 | CYP26A1 (0.47) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL6689597 | 0.81 | RARA (0.75) | CYP3A4CYP26A1RARBRARGRARA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0785782-B1 | USE OF DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN INC (US) | 2004-09-08 | — | — | EP | claimed |
| EP-0785782-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1997-07-30 | — | — | EP | claimed |
| US-5602130-A | ORNITHINE DECARBOXYLASE ENZYME INHIBITOR TREATING SKIN DISORDER, INHIBITING CELL HYPERPROLIFERATION | ALLERGAN | 1997-02-11 | — | — | US | claimed |
| WO-1996011686-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1996-04-25 | — | — | WO | claimed |
| US-5089509-A | Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity | ALLERGAN, INC. (US) | 1992-02-18 | — | — | US | claimed |