Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | RARA | P10276 | 2/20 | 0.50 |
| ▸ | RARB | P10826 | 2/20 | 0.50 |
| ▸ | RARG | P13631 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8662237 | 0.87 | CYP3A4 (0.47) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8658228 | 0.86 | CYP3A4 (0.37) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8664182 | 0.85 | CYP3A4 (0.47) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8659619 | 0.82 | CYP3A4 (0.37) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8663160 | 0.82 | CYP3A4 (0.33) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8662234 | 0.80 | CYP3A4 (0.56) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL7652434 | 0.80 | CYP3A4 (0.52) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8865344 | 0.79 | RARA (0.45) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8661978 | 0.79 | CYP3A4 (0.40) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL7656131 | 0.79 | CYP3A4 (0.53) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5750693-A | THIOCHROMANYL OR CHROMANYL COMPOUNDS AS ANTICARCINOGINIC AGENTS, SKIN DISORDERS AND ATHEROSCLEROSIS | ALLERGAN (US) | 1998-05-12 | — | — | US | disclosed |
| US-5677451-A | CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS | ALLERGAN (US) | 1997-10-14 | — | — | US | disclosed |