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 | 6/20 | 1.00 |
| ▸ | LMNA | P02545 | 5/20 | 1.00 |
| ▸ | ESR2 | Q92731 | 5/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 1.00 |
| ▸ | TSHR | P16473 | 2/20 | 1.00 |
| ▸ | MEN1 | O00255 | 2/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 1.00 |
| ▸ | MAPT | P10636 | 2/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 2/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 2/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 2/20 | 1.00 |
| ▸ | NR3C1 | P04150 | 2/20 | 1.00 |
| ▸ | SHBG | P04278 | 2/20 | 1.00 |
| ▸ | PGR | P06401 | 2/20 | 1.00 |
| ▸ | SERPINA6 | P08185 | 2/20 | 1.00 |
| ▸ | AR | P10275 | 2/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 2/20 | 1.00 |
| ▸ | SNCA | P37840 | 2/20 | 1.00 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 1.00 |
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 SCHEMBL7867599 | 1.00 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10TSHR | |
| Estradiol SCHEMBL7890593 | 1.00 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10TSHR | |
| Estradiol SCHEMBL7525469 | 1.00 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10TSHR | |
| Estradiol SCHEMBL18092907 | 1.00 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10TSHR | |
| Estradiol SCHEMBL19217063 | 1.00 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10TSHR | |
| Estradiol SCHEMBL24037697 | 1.00 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10TSHR | |
| Estradiol SCHEMBL12180046 | 1.00 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10TSHR | |
| Estradiol SCHEMBL14093738 | 1.00 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10TSHR | |
| Estradiol SCHEMBL8845793 | 1.00 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10TSHR | |
| Estradiol SCHEMBL13481084 | 1.00 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10TSHR |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10928385-B2 | Interaction energy calculation system, method, and program | JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF NATIONAL INSTITUTE OF HEALTH SCIENCES | 2021-02-23 | — | — | US | disclosed |
| US-9763961-B2 | Compositions that modulate the activity of estrogen receptors and estrogen-related receptors and methods for use | CITY OF HOPE (US) | 2017-09-19 | — | — | US | disclosed |
| US-9763961-B2 | Compositions that modulate the activity of estrogen receptors and estrogen-related receptors and methods for use | CITY OF HOPE (US) | 2017-09-19 | — | — | US | disclosed |
| US-20140372047-A1 | INTERACTION ENERGY CALCULATION SYSTEM, METHOD AND PROGRAM | JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF NATONAL INSTITUTE OF HEALTH SCIENCE (JP) | 2014-12-18 | — | — | US | disclosed |
| US-20140372047-A1 | INTERACTION ENERGY CALCULATION SYSTEM, METHOD AND PROGRAM | JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF NATONAL INSTITUTE OF HEALTH SCIENCE (JP) | 2014-12-18 | — | — | US | disclosed |
| US-8119695-B2 | Compounds and methods for treating breast cancer and other diseases | CITY OF HOPE (US) | 2012-02-21 | — | — | US | disclosed |
| US-8119695-B2 | Compounds and methods for treating breast cancer and other diseases | CITY OF HOPE (US) | 2012-02-21 | — | — | US | disclosed |
| EP-2058328-B1 | Biologically active peptide VAPEEHPTLLTEAPLNPK derivatives | CMS PEPTIDES PATENT HOLDING COMPANY LTD (VG) | 2011-04-13 | — | — | EP | disclosed |
| US-20090176305-A1 | COMPOUNDS AND METHODS FOR TREATING BREAST CANCER AND OTHER DISEASES | CITY OF HOPE | 2009-07-09 | — | — | US | disclosed |
| US-20090176305-A1 | COMPOUNDS AND METHODS FOR TREATING BREAST CANCER AND OTHER DISEASES | CITY OF HOPE | 2009-07-09 | — | — | US | disclosed |
| EP-2058328-A1 | Biologically active peptide VAPEEHPTLLTEAPLNPK derivatives | CMS Peptides Patent Holding Company Limited (VG) | 2009-05-13 | — | — | EP | disclosed |
| US-7531578-B2 | Acetic acid 4-{1-[4-(2-dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenyl ester; estrogen related receptor (ERR beta or ERR gamma) antagonist; thirty times more effective than 4-hydroxytamoxifen | CITY OF HOPE (US) | 2009-05-12 | — | — | US | disclosed |
| US-7531578-B2 | Acetic acid 4-{1-[4-(2-dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenyl ester; estrogen related receptor (ERR beta or ERR gamma) antagonist; thirty times more effective than 4-hydroxytamoxifen | CITY OF HOPE (US) | 2009-05-12 | — | — | US | disclosed |
| EP-1689771-B1 | BIOLOGICALLY ACTIVE PEPTIDES COMPRISING ISOLEUCYL-VALYL-THREONYL-ASPARAGINYL-THREONYL-THREONINE (IVTNTT) | CMS PEPTIDES PATENT HOLDING CO (VG) | 2009-01-14 | — | — | EP | disclosed |
| US-20080293683-A1 | Hormone Replacement Therapy | UNIVERSITY OF KANSAS MEDICAL CENTER (US) | 2008-11-27 | — | — | US | disclosed |
| US-7396817-B2 | Biologically active peptides comprising Isoleucyl-valyl-threonyl-asparaginyl-threonyl-threonine (IVTNTT) | CMS PEPTIDES PATENT HOLDING COMPANY LIMITED (VG) | 2008-07-08 | — | — | 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-20080293683-A1 | Hormone Replacement Therapy | ESR2, SHBG, ESRRG | ESR1 4/4885LMNA 4487/4885ESR2 1/4885 |
“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.