Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | RARB | P10826 | 2/20 | 0.31 |
| ▸ | RARG | P13631 | 2/20 | 0.31 |
| ▸ | RARA | P10276 | 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 | |
|---|---|---|---|---|
| SCHEMBL9024103 | 0.81 | KDM4E (0.38) | KDM4EALDH1A1HPGDRARBRARG | |
| SCHEMBL12440421 | 0.78 | KDM4E (0.49) | KDM4EALDH1A1HPGD | |
| SCHEMBL9024431 | 0.77 | RARB (0.59) | RARBRARGRARA | |
| SCHEMBL6959482 | 0.76 | KDM4E (0.44) | KDM4EALDH1A1HPGDBACE1 | |
| SCHEMBL9748001 | 0.76 | MAPT (0.46) | KDM4EALDH1A1HPGD | |
| SCHEMBL1850175 | 0.76 | KDM4E (0.44) | KDM4EALDH1A1HPGDBACE1 | |
| SCHEMBL4478866 | 0.76 | ALDH1A1 (0.44) | KDM4EALDH1A1HPGD | |
| SCHEMBL1391209 | 0.74 | NOTUM (0.46) | BACE1RARBRARGRARA | |
| SCHEMBL5781258 | 0.74 | ALDH1A1 (0.42) | KDM4EALDH1A1HPGD | |
| SCHEMBL9024438 | 0.73 | RARA (0.38) | KDM4EALDH1A1HPGDRARBRARG |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0738267-A1 | ACETYLENES DISUBSTITUTED WITH A PHENYL OR HETEROARYL GROUP AND A 2-OXOCHROMANYL, 2-OXOTHIOCHROMANYL OR 2-OXO-1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1996-10-23 | — | — | EP | disclosed |
| WO-1995018803-A1 | ACETYLENES DISUBSTITUTED WITH A PHENYL OR HETEROARYL GROUP AND A 2-OXOCHROMANYL, 2-OXOTHIOCHROMANYL OR 2-OXO-1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1995-07-13 | — | — | WO | disclosed |
| US-5399561-A | Used for treating skin disorders in mammals | ALLERGAN, INC. (US) | 1995-03-21 | — | — | US | disclosed |