Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.52 |
| ▸ | RARB | P10826 | 15/20 | 0.51 |
| ▸ | RARG | P13631 | 15/20 | 0.51 |
| ▸ | RARA | P10276 | 13/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.35 |
| ▸ | SSTR5 | P35346 | 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 | |
|---|---|---|---|---|
| SCHEMBL9302111 | 0.90 | RARB (0.57) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9302613 | 0.87 | CYP3A4 (0.39) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9301891 | 0.84 | CYP3A4 (0.57) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9301483 | 0.84 | RARB (0.55) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9303529 | 0.82 | RARB (0.38) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9302949 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9303664 | 0.78 | CYP3A4 (0.44) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9301902 | 0.75 | CYP3A4 (0.53) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9303234 | 0.75 | RARB (0.61) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9303296 | 0.75 | RARA (0.60) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5354752-A | A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis | ALLERGAN, INC. (US) | 1994-10-11 | — | — | US | claimed |