Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.59 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.59 |
| ▸ | RARB | P10826 | 13/20 | 0.55 |
| ▸ | RARG | P13631 | 13/20 | 0.55 |
| ▸ | RARA | P10276 | 12/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | RXRA | P19793 | 2/20 | 0.39 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.34 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.34 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6665899 | 0.88 | RARB (0.62) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL6665585 | 0.86 | CYP3A4 (0.64) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9302221 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9301902 | 0.85 | CYP3A4 (0.53) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9301486 | 0.83 | RARB (0.56) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL22198842 | 0.82 | CYP3A4 (0.70) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9301731 | 0.80 | CYP26A1 (0.41) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL8671034 | 0.79 | CYP3A4 (0.51) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL19342900 | 0.78 | RARB (0.72) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL19342939 | 0.77 | RARB (0.61) | 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 |