Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 18/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL19054888 | 0.89 | CYP17A1 (0.65) | CYP17A1CYP3A4 | |
| SCHEMBL19054890 | 0.76 | CYP17A1 (0.56) | CYP17A1CYP3A4CYP11B1CYP11B2CYP24A1 | |
| SCHEMBL19054886 | 0.73 | CYP19A1 (0.55) | CYP17A1 | |
| SCHEMBL2348613 | 0.72 | CYP17A1 (0.67) | CYP17A1CYP3A4 | |
| SCHEMBL410598 | 0.70 | CYP17A1 (0.56) | CYP17A1CYP24A1 | |
| SCHEMBL5297627 | 0.70 | CYP17A1 (0.82) | CYP17A1CYP3A4CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL9996065 | 0.70 | CYP17A1 (0.78) | CYP17A1CYP3A4 | |
| SCHEMBL6983161 | 0.70 | CYP24A1 (0.56) | CYP17A1CYP24A1 | |
| SCHEMBL9784394 | 0.69 | CYP17A1 (0.67) | CYP17A1CYP3A4 | |
| SCHEMBL20830319 | 0.69 | CYP19A1 (0.59) | CYP17A1CYP24A1 |
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-3514145-A1 | IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD | Tokyo Ohka Kogyo Co., Ltd. (JP) | 2019-07-24 | — | — | EP | disclosed |