Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.35 |
| ▸ | RARA | P10276 | 2/20 | 0.35 |
| ▸ | RARB | P10826 | 2/20 | 0.35 |
| ▸ | RARG | P13631 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.31 |
| ▸ | ACACB | O00763 | 4/20 | 0.31 |
| ▸ | CRABP2 | P29373 | 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 | |
|---|---|---|---|---|
| SCHEMBL7652437 | 0.92 | CYP3A4 (0.36) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL6664168 | 0.87 | CYP26A1 (0.46) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL6670288 | 0.87 | CYP26A1 (0.39) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL9302600 | 0.86 | CYP26A1 (0.33) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL6666824 | 0.86 | CYP26A1 (0.34) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL7654881 | 0.86 | RARA (0.37) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL20636822 | 0.85 | CYP3A4 (0.41) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL6665587 | 0.84 | CYP26A1 (0.38) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL9302956 | 0.84 | CYP26A1 (0.34) | CYP3A4CYP26A1RARARARBRARG | |
| SCHEMBL6663862 | 0.83 | — | — |
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 10 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 | disclosed |
| EP-0785782-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1997-07-30 | — | — | EP | disclosed |
| US-5602130-A | ORNITHINE DECARBOXYLASE ENZYME INHIBITOR TREATING SKIN DISORDER, INHIBITING CELL HYPERPROLIFERATION | ALLERGAN | 1997-02-11 | — | — | US | disclosed |
| WO-1996011686-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1996-04-25 | — | — | WO | disclosed |
| US-5380877-A | Psoriasis treatment; retinoic acid-like activity | ALLERGAN, INC. (US) | 1995-01-10 | — | — | US | disclosed |
| US-5354752-A | A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis | ALLERGAN, INC. (US) | 1994-10-11 | — | — | US | disclosed |
| US-5348972-A | In treatment of skin disorders such as acne and psoriasis | ALLERGAN, INC. (US) | 1994-09-20 | — | — | US | disclosed |
| US-5234926-A | Skin disorders | ALLERGAN, INC. (US) | 1993-08-10 | — | — | US | disclosed |
| EP-0284288-B1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID LIKE ACTIVITY | ALLERGAN, INC (US) | 1992-05-27 | — | — | EP | disclosed |
| US-5089509-A | Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity | ALLERGAN, INC. (US) | 1992-02-18 | — | — | US | disclosed |