Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 3/20 | 0.39 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | RARA | P10276 | 6/20 | 0.34 |
| ▸ | RARB | P10826 | 6/20 | 0.34 |
| ▸ | RARG | P13631 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | HNF4A | P41235 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 2/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6665587 | 0.91 | CYP26A1 (0.38) | CYP26A1CYP26B1AKR1B1RARARARB | |
| SCHEMBL6667768 | 0.89 | CYP26A1 (0.49) | CYP26A1CYP26B1AKR1B1RARARARB | |
| SCHEMBL7651577 | 0.86 | CYP26A1 (0.38) | CYP26A1CYP26B1AKR1B1RARARARB | |
| SCHEMBL7657204 | 0.85 | CYP26A1 (0.31) | CYP26A1CYP26B1RXRAHNF4A | |
| SCHEMBL7652437 | 0.85 | CYP3A4 (0.36) | CYP26A1CYP26B1AKR1B1RARARARB | |
| SCHEMBL7653889 | 0.82 | CYP26A1 (0.36) | CYP26A1CYP26B1AKR1B1RARARARB | |
| SCHEMBL7651211 | 0.81 | CYP26A1 (0.37) | CYP26A1CYP26B1AKR1B1RARARARB | |
| SCHEMBL7652315 | 0.81 | CYP26A1 (0.37) | CYP26A1CYP26B1AKR1B1RARARARB | |
| SCHEMBL8664184 | 0.81 | CYP3A4 (0.33) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9302667 | 0.81 | KMT2A (0.40) | 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 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 |