Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Alfatradiol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 4/20 | 0.87 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.87 |
| ▸ | LMNA | P02545 | 4/20 | 0.87 |
| ▸ | STS | P08842 | 3/20 | 0.87 |
| ▸ | TSHR | P16473 | 2/20 | 0.87 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.87 |
| ▸ | PGR | P06401 | 2/20 | 0.87 |
| ▸ | AR | P10275 | 2/20 | 0.87 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.87 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.87 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.87 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.87 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.87 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.87 |
| ▸ | MEN1 | O00255 | 1/20 | 0.87 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.87 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.87 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.87 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.87 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.87 |
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 | |
|---|---|---|---|---|
| Estradiol SCHEMBL28291281 | 1.00 | HSD17B10 (0.87) | HSD17B10ESR1LMNASTSTSHR | |
| Estradiol SCHEMBL231200 | 0.99 | ESR1 (0.89) | HSD17B10ESR1LMNASTSTSHR | |
| Alfatradiol SCHEMBL504619 | 0.99 | ESR1 (0.89) | HSD17B10ESR1LMNASTSTSHR | |
| Estradiol SCHEMBL504620 | 0.99 | ESR1 (0.89) | HSD17B10ESR1LMNASTSTSHR | |
| Alfatradiol SCHEMBL14562872 | 0.98 | HSD17B10 (0.87) | HSD17B10ESR1LMNASTSTSHR | |
| Estradiol SCHEMBL6409242 | 0.98 | HSD17B10 (0.87) | HSD17B10ESR1LMNASTSTSHR | |
| Estradiol SCHEMBL628175 | 0.94 | ESR1 (0.85) | HSD17B10ESR1LMNASTSTSHR | |
| Estradiol SCHEMBL1888748 | 0.94 | ESR1 (0.97) | HSD17B10ESR1LMNASTSTSHR | |
| Estradiol SCHEMBL1891983 | 0.94 | ESR1 (0.97) | HSD17B10ESR1LMNASTSTSHR | |
| Estradiol SCHEMBL24037697 | 0.93 | ESR1 (1.00) | HSD17B10ESR1LMNASTSTSHR |
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-103323561-B | The method for detecting estradiol by mass spectrography | 奎斯特诊断投资公司 | 2019-05-07 | — | — | CN | claimed |