Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 16/20 | 0.60 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9784371 | 0.85 | CYP17A1 (0.62) | CYP17A1CYP3A4CYP24A1 | |
| SCHEMBL2348613 | 0.83 | CYP17A1 (0.67) | CYP17A1CYP19A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL9996065 | 0.82 | CYP17A1 (0.78) | CYP17A1CYP19A1CYP3A4 | |
| SCHEMBL2351155 | 0.81 | CYP17A1 (0.58) | CYP17A1CYP19A1CYP3A4CYP24A1 | |
| SCHEMBL9784342 | 0.81 | CYP17A1 (0.64) | CYP17A1CYP3A4CYP24A1 | |
| SCHEMBL9784409 | 0.81 | CYP17A1 (0.67) | CYP17A1CYP24A1 | |
| SCHEMBL10518044 | 0.81 | CYP17A1 (0.57) | CYP17A1TBXAS1CYP19A1CYP24A1 | |
| SCHEMBL9784394 | 0.80 | CYP17A1 (0.67) | CYP17A1CYP19A1CYP3A4 | |
| SCHEMBL9784330 | 0.80 | CYP17A1 (0.62) | CYP17A1CYP3A4CYP24A1 | |
| SCHEMBL9662936 | 0.80 | CYP17A1 (0.56) | CYP17A1TBXAS1CYP19A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0371564-B1 | (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-07-12 | — | — | EP | disclosed |
| EP-0371564-A2 | (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-06-06 | — | — | EP | disclosed |