Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 6/20 | 0.43 |
| ▸ | RARB | P10826 | 6/20 | 0.43 |
| ▸ | RARG | P13631 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 4/20 | 0.34 |
| ▸ | RXRB | P28702 | 3/20 | 0.34 |
| ▸ | RXRG | P48443 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9302019 | 0.91 | CYP3A4 (0.47) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9301891 | 0.86 | CYP3A4 (0.57) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9302613 | 0.85 | CYP3A4 (0.39) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9302754 | 0.82 | RXRA (0.36) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL6664858 | 0.82 | CYP26A1 (0.46) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9302083 | 0.81 | CYP3A4 (0.39) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9304096 | 0.79 | RARA (0.51) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9303664 | 0.78 | CYP3A4 (0.44) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9817829 | 0.78 | RARB (0.47) | RARARARBRARGCYP3A4KMT2A | |
| SCHEMBL9302221 | 0.78 | CYP3A4 (0.43) | RARARARBRARGCYP3A4KMT2A |
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 |