Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 2/20 | 0.33 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | RARA | P10276 | 3/20 | 0.31 |
| ▸ | RARB | P10826 | 3/20 | 0.31 |
| ▸ | RARG | P13631 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.30 |
| ▸ | ACACB | O00763 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9301489 | 0.89 | PTGER4 (0.36) | PTGER4 | |
| SCHEMBL9303922 | 0.89 | CYP3A4 (0.37) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9302953 | 0.88 | CYP26A1 (0.45) | CYP26A1CYP26B1AKR1B1RARARARB | |
| SCHEMBL6664615 | 0.86 | CYP3A4 (0.35) | CYP26A1CYP26B1AKR1B1RARARARB | |
| SCHEMBL6666824 | 0.85 | CYP26A1 (0.34) | CYP26A1CYP26B1AKR1B1RARARARB | |
| SCHEMBL9302708 | 0.84 | — | — | |
| SCHEMBL9302956 | 0.83 | CYP26A1 (0.34) | CYP26A1CYP26B1AKR1B1RARARARB | |
| SCHEMBL6670288 | 0.82 | CYP26A1 (0.39) | CYP26A1CYP26B1AKR1B1RARARARB | |
| SCHEMBL9303290 | 0.82 | CYP3A4 (0.35) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL6665587 | 0.82 | CYP26A1 (0.38) | CYP26A1CYP26B1AKR1B1RARARARB |
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 |