Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 13/20 | 0.49 |
| ▸ | RARA | P10276 | 11/20 | 0.49 |
| ▸ | RARG | P13631 | 10/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.45 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | 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 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8772525 | 0.92 | RARB (0.47) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL8772728 | 0.87 | RARB (0.60) | RARBRARARARGCYP3A4CYP26A1 | |
| SCHEMBL5737002 | 0.86 | RARB (0.52) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL7637556 | 0.82 | RARB (0.48) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL7637549 | 0.82 | RARB (0.48) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL8836952 | 0.82 | RARB (0.50) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL8836856 | 0.82 | RARB (0.50) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL8772609 | 0.82 | RARB (0.48) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL9484975 | 0.81 | RARB (0.67) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL6236817 | 0.80 | 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 |
|---|---|---|---|---|---|---|---|
| US-5591858-A | Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl group having retinoid-like biological activity | ALLERGAN | 1997-01-07 | — | — | 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 |
| US-5514825-A | SYNTHETIC RETINOIDS | ALLERGAN, INC. (US) | 1996-05-07 | — | — | US | disclosed |