Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 10/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | CYP3A5 | P20815 | 4/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11019493 | 0.89 | CYP11B1 (0.63) | CYP19A1CYP11B1CYP11B2CYP3A4KCNA5 | |
| SCHEMBL9201200 | 0.89 | CYP11B1 (0.56) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL11019246 | 0.87 | CYP11B1 (0.50) | CYP19A1CYP11B1CYP11B2CYP3A4KCNA5 | |
| SCHEMBL9202987 | 0.82 | CYP11B1 (0.48) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL11265991 | 0.80 | CYP11B1 (0.75) | CYP19A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL10551959 | 0.79 | CYP11B1 (0.55) | CYP19A1CYP11B1CYP11B2CYP3A4CYP2A6 | |
| SCHEMBL11021790 | 0.79 | CYP19A1 (0.56) | CYP19A1CYP11B1CYP11B2CYP3A4CYP2A6 | |
| SCHEMBL10505778 | 0.78 | CYP11B1 (0.56) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL11023951 | 0.78 | CYP11B1 (0.45) | CYP19A1CYP11B1CYP11B2CYP3A4CYP2A6 | |
| SCHEMBL1377464 | 0.77 | KCNA5 (0.54) | CYP19A1CYP11B1CYP11B2CYP3A4CYP3A5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0149115-A2 | Derivatives of 2-(1-imidazolyl)-ethanol | BOEHRINGER INGELHEIM KG (DE) | 1985-07-24 | — | — | EP | disclosed |