Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | RARA | P10276 | 2/20 | 0.35 |
| ▸ | RARB | P10826 | 2/20 | 0.35 |
| ▸ | RARG | P13631 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 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 | |
|---|---|---|---|---|
| SCHEMBL7651542 | 0.91 | CYP3A4 (0.34) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8659849 | 0.90 | CYP3A4 (0.39) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL6664152 | 0.88 | CYP26A1 (0.45) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL7655944 | 0.86 | CYP3A4 (0.37) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL7654293 | 0.86 | PTGDR2 (0.31) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL7652344 | 0.85 | CYP3A4 (0.41) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL7653882 | 0.84 | CYP3A4 (0.49) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL7652233 | 0.83 | AKR1B1 (0.31) | CYP26A1 | |
| SCHEMBL7654485 | 0.82 | CYP3A4 (0.37) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8663173 | 0.82 | CYP3A4 (0.39) | CYP3A4RARARARBRARGKMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6344463-B1 | SKIN DISORDERS, ACNE | ALLERGAN SALES, INC. | 2002-02-05 | — | — | US | disclosed |
| EP-0636127-B1 | Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity | ALLERGAN INC (US) | 2001-04-04 | — | — | EP | disclosed |
| US-6090826-A | Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity | ALLERGAN SALES, INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-5663347-A | REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION; TREATMENT OF SKIN DISORDERS; ANTICARCINOGNIC AGENTS | ALLERGAN (US) | 1997-09-02 | — | — | US | disclosed |
| US-5468879-A | Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity | ALLERGAN, INC. (US) | 1995-11-21 | — | — | US | disclosed |
| EP-0636127-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROBICYCLIC GROUPS AND HETEROAROMATIC OR PHENYL GROUPS HAVING RETINOID LIKE ACTIVITY | ALLERGAN, INC. (US) | 1995-02-01 | — | — | EP | disclosed |
| US-5264578-A | Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity | ALLERGAN, INC. (US) | 1993-11-23 | — | — | US | disclosed |
| WO-1993016068-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROBICYCLIC GROUPS AND HETEROAROMATIC OR PHENYL GROUPS HAVING RETINOID LIKE ACTIVITY | ALLERGAN, INC. (US) | 1993-08-19 | — | — | WO | disclosed |