Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | RARA | P10276 | 2/20 | 0.39 |
| ▸ | RARB | P10826 | 2/20 | 0.39 |
| ▸ | RARG | P13631 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9303664 | 0.92 | CYP3A4 (0.44) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9301893 | 0.87 | CYP3A4 (0.52) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9302216 | 0.85 | RARA (0.43) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9303114 | 0.83 | RXRA (0.33) | RARARARBRARGCYP26A1 | |
| SCHEMBL9302083 | 0.83 | CYP3A4 (0.39) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9301237 | 0.80 | CYP3A4 (0.41) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9302111 | 0.79 | RARB (0.57) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9302019 | 0.78 | CYP3A4 (0.47) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9302684 | 0.77 | RARA (0.46) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9302619 | 0.77 | CYP3A4 (0.39) | CYP3A4RARARARBRARGKMT2A |
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 |