Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.52 |
| ▸ | RARB | P10826 | 11/20 | 0.48 |
| ▸ | RARG | P13631 | 11/20 | 0.48 |
| ▸ | RARA | P10276 | 10/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 5/20 | 0.33 |
| ▸ | RXRB | P28702 | 2/20 | 0.33 |
| ▸ | RXRG | P48443 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7654342 | 0.95 | CYP3A4 (0.53) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL8664690 | 0.91 | CYP3A4 (0.55) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL7652566 | 0.91 | RARB (0.59) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL7656505 | 0.85 | RARA (0.60) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL7653681 | 0.81 | RARA (0.62) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL7654860 | 0.79 | CYP3A4 (0.54) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL7655231 | 0.78 | RARB (0.59) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL6609585 | 0.77 | RARA (0.75) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL7652691 | 0.74 | RARA (0.39) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL6251130 | 0.72 | CYP3A4 (0.77) | 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 9 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-5750693-A | THIOCHROMANYL OR CHROMANYL COMPOUNDS AS ANTICARCINOGINIC AGENTS, SKIN DISORDERS AND ATHEROSCLEROSIS | ALLERGAN (US) | 1998-05-12 | — | — | 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 |