Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | RARA | P10276 | 5/20 | 0.38 |
| ▸ | RARB | P10826 | 5/20 | 0.38 |
| ▸ | RARG | P13631 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.37 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | HNF4A | P41235 | 1/20 | 0.37 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL9817779 | 0.97 | RARA (0.37) | ALOX5RARARARBRARGCYP3A4 | |
| SCHEMBL10568461 | 0.94 | RARA (0.39) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9817748 | 0.92 | CYP26A1 (0.41) | ALOX5RARARARBRARGCYP3A4 | |
| SCHEMBL9817759 | 0.89 | CYP26A1 (0.40) | ALOX5RARARARBRARGCYP3A4 | |
| SCHEMBL9817608 | 0.89 | RARA (0.42) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9817649 | 0.88 | ALOX5 (0.36) | ALOX5KMT2APPARGPPARAFFAR1 | |
| SCHEMBL9817777 | 0.86 | PPARA (0.35) | ALOX5KMT2APPARGPPARAFFAR1 | |
| SCHEMBL9817847 | 0.85 | CYP4F2 (0.43) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9817603 | 0.85 | CYP4F2 (0.40) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9817669 | 0.83 | CYP4F2 (0.43) | RARARARBRARGCYP3A4KMT2A |
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-0290130-B1 | ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A HETEROBICYCLIC GROUP HAVING RETINOID LIKE ACTIVITY | ALLERGAN, INC (US) | 1991-11-06 | — | — | EP | disclosed |
| US-4810804-A | PSORIASIS | ALLERGAN, INC. (US) | 1989-03-07 | — | — | US | disclosed |
| EP-0290130-A1 | Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity | ALLERGAN, INC (US) | 1988-11-09 | — | — | EP | disclosed |