Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 4/20 | 0.34 |
| ▸ | RXRB | P28702 | 2/20 | 0.34 |
| ▸ | RXRG | P48443 | 2/20 | 0.34 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.34 |
| ▸ | HNF4A | P41235 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 7/20 | 0.33 |
| ▸ | RARA | P10276 | 4/20 | 0.33 |
| ▸ | RARB | P10826 | 4/20 | 0.33 |
| ▸ | RARG | P13631 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | P4HA1 | P13674 | 1/20 | 0.30 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | HCAR3 | P49019 | 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 | |
|---|---|---|---|---|
| SCHEMBL1485835 | 0.88 | KMT2A (0.47) | CYP3A4CYP26A1RXRAHNF4ARARA | |
| SCHEMBL6669251 | 0.86 | CYP26A1 (0.34) | CYP26A1P4HTM | |
| SCHEMBL1271404 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP26A1GRM5RARARARB | |
| SCHEMBL6663862 | 0.81 | — | — | |
| SCHEMBL6664157 | 0.80 | AKR1B1 (0.30) | — | |
| SCHEMBL6665717 | 0.80 | CYP3A4 (0.34) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL6668281 | 0.78 | CYP3A4 (0.33) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9427241 | 0.78 | PKM (0.33) | RXRARXRBRXRG | |
| SCHEMBL7655148 | 0.78 | KMT2A (0.47) | CYP3A4CYP26A1RXRAHNF4ARARA | |
| SCHEMBL6664862 | 0.77 | CYP26A1 (0.30) | CYP26A1 |
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 |