Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Estradiol. 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 | 0.85 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.85 |
| ▸ | LMNA | P02545 | 4/20 | 0.85 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.85 |
| ▸ | TSHR | P16473 | 2/20 | 0.85 |
| ▸ | MEN1 | O00255 | 2/20 | 0.85 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.85 |
| ▸ | MAPT | P10636 | 2/20 | 0.85 |
| ▸ | STS | P08842 | 2/20 | 0.85 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.85 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.85 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.85 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.85 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.85 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.85 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.85 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.85 |
| ▸ | ESRRB | O95718 | 1/20 | 0.85 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.85 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.85 |
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 | |
|---|---|---|---|---|
| Alfatradiol SCHEMBL2970968 | 1.00 | HSD17B10 (0.85) | HSD17B10ESR1LMNAESR2TSHR | |
| Estradiol SCHEMBL19548243 | 1.00 | HSD17B10 (0.85) | HSD17B10ESR1LMNAESR2TSHR | |
| Estradiol SCHEMBL15610524 | 0.92 | ESR1 (1.00) | HSD17B10ESR1LMNAESR2TSHR | |
| Estradiol SCHEMBL7260525 | 0.92 | ESR1 (1.00) | HSD17B10ESR1LMNAESR2TSHR | |
| Estradiol SCHEMBL10039280 | 0.92 | ESR1 (1.00) | HSD17B10ESR1LMNAESR2TSHR | |
| Estradiol SCHEMBL24037697 | 0.92 | ESR1 (1.00) | HSD17B10ESR1LMNAESR2TSHR | |
| Estradiol SCHEMBL18258335 | 0.92 | ESR1 (1.00) | HSD17B10ESR1LMNAESR2TSHR | |
| Estradiol SCHEMBL13252493 | 0.92 | ESR1 (1.00) | HSD17B10ESR1LMNAESR2TSHR | |
| Estradiol SCHEMBL7037626 | 0.92 | ESR1 (1.00) | HSD17B10ESR1LMNAESR2TSHR | |
| Estradiol SCHEMBL10039358 | 0.92 | ESR1 (1.00) | HSD17B10ESR1LMNAESR2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7763600-B2 | Hormone-based nitrogen monoxide donor compounds and use thereof in obstetrics and gynecology | EFFIK (FR) | 2010-07-27 | — | — | US | disclosed |
| US-20050222105-A1 | Hormone-based nitrogen monoxide donor compounds and use thereof in obstetrics and gynecology | EFFIK (FR) | 2005-10-06 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050222105-A1 | Hormone-based nitrogen monoxide donor compounds and use thereof in obstetrics and gynecology | PGF, SHBG, GNRHR | ESR1 183/4885HSD17B10 696/4885LMNA 1364/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.