Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 17/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9194817 | 0.76 | CYP17A1 (0.50) | CYP17A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL9196653 | 0.76 | MEN1 (0.45) | CYP17A1 | |
| SCHEMBL9190479 | 0.71 | CYP17A1 (0.47) | CYP17A1CYP3A4CYP24A1 | |
| Nitric Acid SCHEMBL16700594 | 0.70 | CYP17A1 (0.67) | CYP17A1CYP11B1CYP11B2CYP3A4CYP24A1 | |
| SCHEMBL9198545 | 0.69 | CYP17A1 (0.52) | CYP17A1CYP24A1 | |
| SCHEMBL9196651 | 0.68 | CYP17A1 (0.38) | CYP17A1CYP11B1CYP11B2CYP3A4CYP24A1 | |
| SCHEMBL9663667 | 0.67 | CYP19A1 (0.44) | CYP17A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL9192600 | 0.67 | CYP17A1 (0.52) | CYP17A1CYP3A4CYP24A1 | |
| SCHEMBL9727815 | 0.66 | CYP17A1 (0.47) | CYP17A1CYP24A1 | |
| SCHEMBL9664937 | 0.66 | CYP19A1 (0.46) | CYP17A1CYP11B1CYP11B2CYP3A4 |
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-0371564-B1 | (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-07-12 | — | — | EP | disclosed |