Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 10/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9525292 | 0.87 | CYP17A1 (0.44) | CYP17A1CYP26A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL9527065 | 0.83 | CYP17A1 (0.48) | CYP17A1CYP26A1CYP11B1CYP11B2 | |
| SCHEMBL5702761 | 0.77 | CYP17A1 (0.50) | CYP17A1CYP26A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL9527175 | 0.76 | CYP19A1 (0.47) | CYP11B1CYP11B2CYP19A1 | |
| Hydrochloric Acid SCHEMBL3279519 | 0.76 | CYP17A1 (0.49) | CYP17A1CYP26A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL9523819 | 0.72 | CYP19A1 (0.50) | CYP17A1CYP26A1CYP19A1 | |
| SCHEMBL9662269 | 0.68 | CYP17A1 (0.46) | CYP17A1CYP26A1CYP11B1CYP11B2CYP19A1 | |
| Hydrochloric Acid SCHEMBL9065160 | 0.65 | CYP19A1 (0.48) | CYP17A1CYP26A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL19054896 | 0.65 | CYP19A1 (0.73) | CYP17A1CYP26A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL9525487 | 0.65 | CYP19A1 (0.59) | CYP17A1CYP26A1CYP11B1CYP11B2CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4943574-A | AROMATASE INHIBITORS, ESTROGEN DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-07-24 | — | — | US | disclosed |