Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ethinyl 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 | 8/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | ESR2 | Q92731 | 3/20 | 1.00 |
| ▸ | NR3C1 | P04150 | 3/20 | 1.00 |
| ▸ | PGR | P06401 | 3/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 2/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 2/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 2/20 | 1.00 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 1.00 |
| ▸ | SLC22A2 | O15244 | 1/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 1/20 | 1.00 |
| ▸ | SHBG | P04278 | 1/20 | 1.00 |
| ▸ | HTR1A | P08908 | 1/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 1.00 |
| ▸ | AR | P10275 | 1/20 | 1.00 |
| ▸ | ADRB3 | P13945 | 1/20 | 1.00 |
| ▸ | CYP2B6 | P20813 | 1/20 | 1.00 |
| ▸ | TBXA2R | P21731 | 1/20 | 1.00 |
| ▸ | UGT1A1 | P22309 | 1/20 | 1.00 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| Ethinyl Estradiol SCHEMBL15213118 | 1.00 | ESR1 (1.00) | ESR1CYP3A4ESR2NR3C1PGR | |
| Ethinyl Estradiol SCHEMBL13575761 | 1.00 | ESR1 (1.00) | ESR1CYP3A4ESR2NR3C1PGR | |
| Ethinyl Estradiol SCHEMBL4071 | 1.00 | ESR1 (1.00) | ESR1CYP3A4ESR2NR3C1PGR | |
| Ethinyl Estradiol SCHEMBL12180049 | 1.00 | ESR1 (1.00) | ESR1CYP3A4ESR2NR3C1PGR | |
| Ethinyl Estradiol SCHEMBL16070988 | 1.00 | ESR1 (1.00) | ESR1CYP3A4ESR2NR3C1PGR | |
| Ethinyl Estradiol SCHEMBL5030184 | 1.00 | ESR1 (1.00) | ESR1CYP3A4ESR2NR3C1PGR | |
| Ethinyl Estradiol SCHEMBL19963467 | 1.00 | ESR1 (1.00) | ESR1CYP3A4ESR2NR3C1PGR | |
| Ethinyl Estradiol SCHEMBL14380029 | 1.00 | ESR1 (1.00) | ESR1CYP3A4ESR2NR3C1PGR | |
| Ethinyl Estradiol SCHEMBL7602883 | 1.00 | ESR1 (1.00) | ESR1CYP3A4ESR2NR3C1PGR | |
| Ethinyl Estradiol SCHEMBL5995835 | 1.00 | ESR1 (1.00) | ESR1CYP3A4ESR2NR3C1PGR |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020081329-A1 | METHODS AND COMPOSITIONS FOR MODULATING PCSK9 AND ANGPTL3 EXPRESSION | CAMP4 THERAPEUTICS CORPORATION (US) | 2020-04-23 | — | — | WO | claimed |
| EP-1622567-B1 | ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF | MERCK SHARP & DOHME (US) | 2013-07-24 | — | — | EP | claimed |
| WO-2020081329-A1 | METHODS AND COMPOSITIONS FOR MODULATING PCSK9 AND ANGPTL3 EXPRESSION | CAMP4 THERAPEUTICS CORPORATION (US) | 2020-04-23 | — | — | WO | disclosed |
| WO-2018032114-A1 | NANOCOMPOSITE HYDROGELS AND METHODS OF USING SAME IN PURIFYING A FLUID | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2018-02-22 | — | — | WO | disclosed |
| CN-107406283-A | Water purification process | OMYA国际股份公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-105209396-B | Surface treated calcium carbonate and phyllosilicate and its purposes in water purifying | OMYA国际股份公司 | 2017-09-12 | — | — | CN | disclosed |
| CN-106632571-A | Receptor molecularly-targeted imaging agent and preparation method and application thereof | 厦门大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-105209396-A | Surface-treated calcium carbonate and phyllosilicate and its use in water purification | OMYA INT AG | 2015-12-30 | — | — | CN | disclosed |
| CN-105188696-A | Gamma-diketones as WNT/beta -catenin signaling pathway activators | SAMUMED LLC | 2015-12-23 | — | — | CN | disclosed |
| US-9023818-B2 | Pharmaceutical agents containing carbohydrate moieties and methods of their preparation and use | GLYCON LLC (US) | 2015-05-05 | — | — | US | disclosed |
| CN-103961337-A | COMPOSITION FOR PERCUTANEOUS ADMINISTRATION | NOVARTIS AG | 2014-08-06 | — | — | CN | disclosed |
| EP-1093361-A1 | PLASTER WHICH CONTAINS STEROIDS, AND A METHOD FOR THE PRODUCTION AND USE THEREOF | LTS LOHMANN THERAPIE-SYSTEME GmbH & CO.KG (DE) | 2001-04-25 | — | — | EP | disclosed |
| WO-2000002540-A1 | PLASTER WHICH CONTAINS STEROIDS, AND A METHOD FOR THE PRODUCTION AND USE THEREOF | LTS LOHMANN THERAPIE-SYSTEME AG (DE) | 2000-01-20 | — | — | WO | disclosed |
| EP-0695177-B1 | ACTIVE SUBSTANCE-CONTAINING PLASTER | HEXAL AG (DE) | 1998-02-18 | — | — | EP | disclosed |
| EP-0813865-A1 | Drug patch | HEXAL AG (DE) | 1997-12-29 | — | — | EP | disclosed |
| US-5683711-A | TRANSDERMAL DRUG DELIVERY OF ESTROGEN HORMONES | HEXAL PHARMA GMBH (DE) | 1997-11-04 | — | — | US | disclosed |
| US-5024998-A | Administering in aqueous solution with cyclodextrin derivative | UNIVERSITY OF FLORIDA (US) | 1991-06-18 | — | — | US | disclosed |
| US-4983586-A | Decreasing precipitation at injection site or in lungs or other organs by combining with hydroxypropyl-beta-cyclodextrin | UNIVERSITY OF FLORIDA (US) | 1991-01-08 | — | — | US | disclosed |
| EP-0130067-B1 | NOVEL INDOLE DERIVATIVE, PROCESSES FOR ITS PREPARATION AND ITS USE AS FERTILITY CONTROL AGENT | Kong, Yun Cheung, Dr. (HK) | 1989-09-13 | — | — | EP | disclosed |
| EP-0130067-A2 | Novel indole derivative, processes for its preparation and its use as fertility control agent | Kong, Yun Cheung, Dr. (HK) | 1985-01-02 | — | — | EP | disclosed |