Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 16/20 | 0.61 |
| ▸ | RARG | P13631 | 16/20 | 0.61 |
| ▸ | RARA | P10276 | 14/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | RXRA | P19793 | 6/20 | 0.47 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 4/20 | 0.41 |
| ▸ | RXRG | P48443 | 4/20 | 0.41 |
| ▸ | SSTR5 | P35346 | 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 | |
|---|---|---|---|---|
| SCHEMBL180433 | 0.86 | RARB (0.64) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL30374339 | 0.86 | RARB (0.64) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL6667766 | 0.84 | RARB (0.54) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL9817648 | 0.83 | CYP3A4 (0.76) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL19034088 | 0.82 | RARB (0.62) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL6052691 | 0.81 | RARB (0.56) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL19342986 | 0.80 | RARB (0.62) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL19342905 | 0.79 | RARB (0.61) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL19342965 | 0.79 | RARB (0.61) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL22198842 | 0.79 | CYP3A4 (0.70) | RARBRARGRARACYP3A4CYP26A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0785782-B1 | USE OF DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN INC (US) | 2004-09-08 | — | — | EP | claimed |