Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Letrozole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 known ✓ | P11511 | 20/20 | 0.97 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.97 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.97 |
| ▸ | TSHR | P16473 | 1/20 | 0.97 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.97 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.97 |
| ▸ | STS | P08842 | 4/20 | 0.58 |
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 SCHEMBL5326636 | 0.98 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP11B1TSHRCYP11B2 | |
| Letrozole SCHEMBL29079510 | 0.98 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP11B1TSHRCYP11B2 | |
| Letrozole SCHEMBL4331 | 0.98 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP11B1TSHRCYP11B2 | |
| Letrozole SCHEMBL178028 | 0.98 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP11B1TSHRCYP11B2 | |
| Letrozole SCHEMBL1026263 | 0.97 | CYP19A1 (0.97) | CYP19A1CYP3A4CYP11B1TSHRCYP11B2 | |
| SCHEMBL10075551 | 0.91 | CYP19A1 (0.85) | CYP19A1CYP3A4CYP11B1TSHRCYP11B2 | |
| SCHEMBL5430341 | 0.91 | CYP19A1 (0.85) | CYP19A1CYP3A4CYP11B1TSHRCYP11B2 | |
| SCHEMBL13285157 | 0.91 | CYP19A1 (0.85) | CYP19A1CYP3A4CYP11B1TSHRCYP11B2 | |
| SCHEMBL19661207 | 0.91 | CYP19A1 (0.85) | CYP19A1CYP3A4CYP11B1TSHRCYP11B2 | |
| Letrozole SCHEMBL29046442 | 0.88 | CYP19A1 (0.81) | CYP19A1CYP3A4CYP11B1TSHRCYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103044432-B | Bicyclic heteroaryl compounds | 阿里亚德医药股份有限公司 | 2016-08-03 | — | — | CN | disclosed |