Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 4/20 | 0.64 |
| ▸ | RARG | P13631 | 4/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | RARA | P10276 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | OGA | O60502 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9023692 | 0.89 | RARB (0.48) | RARBRARGCYP3A4RARAKMT2A | |
| SCHEMBL8626930 | 0.84 | CYP3A4 (0.65) | RARBRARGCYP3A4RARAKMT2A | |
| SCHEMBL1485972 | 0.84 | RARA (0.70) | RARBRARGCYP3A4RARAKMT2A | |
| SCHEMBL995850 | 0.82 | RARB (0.74) | RARBRARGCYP3A4RARAKMT2A | |
| SCHEMBL8865289 | 0.82 | CYP3A4 (0.63) | RARBRARGCYP3A4RARAKMT2A | |
| SCHEMBL9526904 | 0.82 | CYP3A4 (0.63) | RARBRARGCYP3A4RARAKMT2A | |
| SCHEMBL9270697 | 0.82 | CYP3A4 (0.77) | RARBRARGCYP3A4RARAKMT2A | |
| SCHEMBL8460127 | 0.80 | KMT2A (0.62) | RARBRARGCYP3A4RARAKMT2A | |
| SCHEMBL7642408 | 0.79 | RARB (0.69) | RARBRARGCYP3A4RARAKMT2A | |
| SCHEMBL8669861 | 0.79 | RARB (0.72) | RARBRARGCYP3A4RARAKMT2A |
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 |