Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL8772686 | 0.88 | MALT1 (0.32) | MALT1 | |
| SCHEMBL8772590 | 0.79 | RARA (0.32) | — | |
| SCHEMBL8772719 | 0.73 | — | — | |
| SCHEMBL30279114 | 0.73 | MALT1 (0.41) | PDE4BMALT1 | |
| SCHEMBL445935 | 0.73 | MALT1 (0.41) | PDE4BMALT1 | |
| SCHEMBL6000705 | 0.73 | PDE4B (0.36) | PDE4BMALT1 | |
| SCHEMBL5219527 | 0.73 | PDE4B (0.36) | PDE4BMALT1 | |
| SCHEMBL8836860 | 0.72 | RARB (0.60) | — | |
| SCHEMBL12633680 | 0.71 | PDE4B (0.36) | PDE4BMALT1 | |
| SCHEMBL8836607 | 0.70 | CYP26A1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0800517-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) | 1997-10-15 | — | — | EP | disclosed |
| US-5591858-A | Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl group having retinoid-like biological activity | ALLERGAN | 1997-01-07 | — | — | 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 |
| US-5514825-A | SYNTHETIC RETINOIDS | ALLERGAN, INC. (US) | 1996-05-07 | — | — | US | disclosed |