Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 11/20 | 0.50 |
| ▸ | RARA | P10276 | 9/20 | 0.50 |
| ▸ | RARG | P13631 | 8/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.41 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8772517 | 0.93 | RARB (0.48) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL8851156 | 0.86 | RARB (0.57) | RARBRARARARGCYP3A4CYP26A1 | |
| SCHEMBL7640501 | 0.84 | RARB (0.52) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL8670048 | 0.80 | RARB (0.48) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL8644027 | 0.79 | RARA (0.41) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL8670052 | 0.79 | RARB (0.47) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL8669545 | 0.79 | RARB (0.49) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL5735552 | 0.79 | RARB (0.49) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL8850861 | 0.78 | RARB (0.57) | RARBRARARARGCYP3A4CYP26A1 | |
| SCHEMBL7636118 | 0.78 | RARB (0.49) | RARBRARARARGCYP3A4KMT2A |
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-0800517-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) | 1997-10-15 | — | — | EP | disclosed |
| US-5618943-A | SKIN DISORDERS, ANTIINFLAMMATORY AGENTS | ALLERGAN | 1997-04-08 | — | — | 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 |