Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 15/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.44 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27581291 | 0.88 | CYP19A1 (0.60) | CYP19A1CYP11B1CYP17A1CYP24A1CYP1A2 | |
| SCHEMBL7740382 | 0.82 | CYP19A1 (0.71) | CYP19A1CYP11B1CYP17A1CYP3A4 | |
| SCHEMBL28147170 | 0.71 | — | — | |
| SCHEMBL28057897 | 0.71 | — | — | |
| SCHEMBL5570904 | 0.70 | CYP19A1 (0.36) | CYP19A1CYP17A1 | |
| SCHEMBL27905027 | 0.68 | CYP19A1 (0.57) | CYP19A1CYP11B1CYP17A1CYP24A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL2421272 | 0.67 | CYP19A1 (0.56) | CYP19A1CYP11B1CYP17A1CYP24A1CYP1A2 | |
| SCHEMBL28023189 | 0.67 | CYP19A1 (0.45) | CYP19A1CYP17A1CYP3A4 | |
| SCHEMBL7737006 | 0.67 | CYP17A1 (0.39) | CYP19A1CYP17A1 | |
| SCHEMBL6949625 | 0.67 | CYP19A1 (0.60) | CYP19A1CYP11B1CYP17A1CYP24A1CYP1A2 |
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-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | disclosed |