Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 19/20 | 0.55 |
| ▸ | UGT1A4 | P22310 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL3238041 | 0.89 | CYP19A1 (0.75) | CYP19A1UGT1A4PDE4D | |
| SCHEMBL14542546 | 0.71 | CYP19A1 (0.75) | CYP19A1UGT1A4PDE4D | |
| Anastrozole SCHEMBL27927481 | 0.71 | CYP19A1 (1.00) | CYP19A1UGT1A4PDE4D | |
| Anastrozole SCHEMBL9726 | 0.71 | CYP19A1 (1.00) | CYP19A1UGT1A4PDE4D | |
| Anastrozole SCHEMBL5917785 | 0.70 | CYP19A1 (0.97) | CYP19A1UGT1A4PDE4D | |
| Anastrozole SCHEMBL3172308 | 0.70 | CYP19A1 (0.97) | CYP19A1UGT1A4PDE4D | |
| SCHEMBL937176 | 0.69 | CYP19A1 (0.82) | CYP19A1UGT1A4PDE4D | |
| Anastrozole SCHEMBL13323725 | 0.69 | CYP19A1 (0.84) | CYP19A1UGT1A4PDE4D | |
| SCHEMBL8069999 | 0.68 | CYP19A1 (0.75) | CYP19A1UGT1A4PDE4D | |
| SCHEMBL4621667 | 0.68 | CTSB (0.35) | — |
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-1414467-A2 | TOPICAL TREATMENT FOR MASTALGIA | Schmidt, Alfred (DE) | 2004-05-06 | — | — | EP | disclosed |
| WO-2002036129-A2 | TOPICAL TREATMENT OF MASTALGIA WITH AROMETESE INHIBITORS SUCH AS ANDROSTENDIONE | SCHMIDT ALFRED (DE) | 2002-05-10 | — | — | WO | disclosed |