Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.67 |
| ▸ | RARB | P10826 | 9/20 | 0.53 |
| ▸ | RARG | P13631 | 8/20 | 0.53 |
| ▸ | RARA | P10276 | 7/20 | 0.53 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | RXRA | P19793 | 5/20 | 0.47 |
| ▸ | RXRB | P28702 | 4/20 | 0.47 |
| ▸ | RXRG | P48443 | 4/20 | 0.47 |
| ▸ | GRM5 | P41594 | 5/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5084210 | 0.86 | CYP3A4 (0.72) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL8669861 | 0.86 | RARB (0.72) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL6665934 | 0.83 | RARB (0.76) | CYP3A4CYP26A1RARBRARGRARA | |
| Tazarotenic Acid SCHEMBL678713 | 0.81 | CYP3A4 (1.00) | CYP3A4CYP26A1RARBRARGRARA | |
| Tazarotenic Acid SCHEMBL29433140 | 0.81 | CYP3A4 (1.00) | CYP3A4CYP26A1RARBRARGRARA | |
| Tazarotenic Acid SCHEMBL29466098 | 0.81 | CYP3A4 (1.00) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL1320433 | 0.81 | CYP3A4 (0.65) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL7636138 | 0.81 | CYP3A4 (0.62) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL2682928 | 0.80 | CYP3A4 (0.64) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL2682931 | 0.80 | CYP3A4 (0.64) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5654469-A | FOR TREATMENT OF SKIN DISORDERS | ALLERGAN (US) | 1997-08-05 | — | — | US | disclosed |
| US-5543534-A | Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl groups having retinoid-like biological activity | ALLERGAN | 1996-08-06 | — | — | US | disclosed |
| WO-1996020930-A1 | ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN (US) | 1996-07-11 | — | — | WO | disclosed |