Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.59 |
| ▸ | RARB | P10826 | 9/20 | 0.48 |
| ▸ | RARG | P13631 | 9/20 | 0.48 |
| ▸ | RARA | P10276 | 7/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.46 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 7/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8626930 | 0.87 | CYP3A4 (0.65) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9180357 | 0.86 | RARB (0.60) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL8876189 | 0.85 | CYP26A1 (0.43) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL8891765 | 0.83 | CYP3A4 (0.46) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL1320433 | 0.83 | CYP3A4 (0.65) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL8865723 | 0.82 | CYP3A4 (0.42) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL8864966 | 0.82 | CYP3A4 (0.40) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9866199 | 0.81 | CYP3A4 (0.44) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL8874410 | 0.81 | CYP26A1 (0.39) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL5084210 | 0.80 | CYP3A4 (0.72) | CYP3A4CYP26A1RARBRARGRARA |
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 |
|---|---|---|---|---|---|---|---|
| US-5616597-A | ANTIACNE, ANTIPSORIASIS COMPOUNDS | ALLERGAN (US) | 1997-04-01 | — | — | US | disclosed |
| EP-0419130-B1 | Acetylenes disubstituted with a heteroaromatic group and A 2-substituted chromanyl, thiochromanyl or 1,2,3,4- tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN INC (US) | 1995-11-15 | — | — | EP | disclosed |
| EP-0419132-B1 | Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity | ALLERGAN INC (US) | 1995-09-06 | — | — | EP | disclosed |
| US-5272156-A | Acetylenes disubstituted with a heteroaromatic group and a 2-substituted 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN, INC. (US) | 1993-12-21 | — | — | US | disclosed |
| US-5045551-A | Acetylenes disubstituted with a heteroaromatic group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN, INC. (US) | 1991-09-03 | — | — | US | disclosed |