Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 5/20 | 0.48 |
| ▸ | RARG | P13631 | 5/20 | 0.48 |
| ▸ | RARA | P10276 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | PRKCA | P17252 | 3/20 | 0.40 |
| ▸ | PRKCG | P05129 | 1/20 | 0.40 |
| ▸ | PRKCB | P05771 | 1/20 | 0.40 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9024941 | 0.89 | RARB (0.64) | RARBRARGRARAKMT2ACYP3A4 | |
| SCHEMBL9024431 | 0.84 | RARB (0.59) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL8624834 | 0.81 | RARA (0.49) | RARBRARGRARAKMT2ACYP3A4 | |
| SCHEMBL8559730 | 0.81 | RARB (0.54) | RARBRARGRARAKMT2ACYP3A4 | |
| SCHEMBL8604236 | 0.79 | RARB (0.58) | RARBRARGRARAKMT2ACYP3A4 | |
| SCHEMBL8606002 | 0.78 | RARB (0.47) | RARBRARGRARAKMT2ACYP3A4 | |
| SCHEMBL9484975 | 0.78 | RARB (0.67) | RARBRARGRARAKMT2ACYP3A4 | |
| SCHEMBL8866305 | 0.77 | RARB (0.71) | RARBRARGRARAKMT2ACYP3A4 | |
| SCHEMBL6591210 | 0.76 | ALDH1A1 (0.56) | RARBRARGRARAKMT2ACYP3A4 | |
| SCHEMBL8631973 | 0.76 | RARB (0.55) | RARBRARGRARAKMT2ACYP3A4 |
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 |