Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 20/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.72 |
| ▸ | STS | P08842 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Letrozole SCHEMBL4331 | 0.84 | CYP19A1 (1.00) | CYP19A1CYP2C19CYP3A4CYP11B1TSHR | |
| Letrozole SCHEMBL5326636 | 0.84 | CYP19A1 (1.00) | CYP19A1CYP2C19CYP3A4CYP11B1TSHR | |
| Letrozole SCHEMBL178028 | 0.84 | CYP19A1 (1.00) | CYP19A1CYP2C19CYP3A4CYP11B1TSHR | |
| Letrozole SCHEMBL29079510 | 0.84 | CYP19A1 (1.00) | CYP19A1CYP2C19CYP3A4CYP11B1TSHR | |
| SCHEMBL8700789 | 0.83 | CYP19A1 (0.70) | CYP19A1CYP2C19CYP3A4CYP11B1TSHR | |
| Letrozole SCHEMBL1026263 | 0.83 | CYP19A1 (0.97) | CYP19A1CYP2C19CYP3A4CYP11B1TSHR | |
| Letrozole SCHEMBL28081077 | 0.83 | CYP19A1 (0.97) | CYP19A1CYP2C19CYP3A4CYP11B1TSHR | |
| SCHEMBL8697937 | 0.82 | CYP19A1 (0.60) | CYP19A1CYP2C19CYP3A4CYP11B1TSHR | |
| SCHEMBL8697035 | 0.82 | CYP19A1 (0.60) | CYP19A1CYP2C19CYP3A4CYP11B1TSHR | |
| SCHEMBL8696297 | 0.82 | CYP19A1 (0.69) | CYP19A1CYP2C19CYP3A4CYP11B1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998018791-A1 | HETEROCYCLIC FURAN COMPOUNDS, THEIR PREPARATION AND USE AS AROMATASE INHIBITORS | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) | 1998-05-07 | — | — | WO | claimed |
| WO-1998018791-A1 | HETEROCYCLIC FURAN COMPOUNDS, THEIR PREPARATION AND USE AS AROMATASE INHIBITORS | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) | 1998-05-07 | — | — | WO | disclosed |