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 | 7/20 | 0.77 |
| ▸ | LMNA | P02545 | 6/20 | 0.77 |
| ▸ | MAPT | P10636 | 5/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.77 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.77 |
| ▸ | MEN1 | O00255 | 3/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.77 |
| ▸ | PGR | P06401 | 3/20 | 0.77 |
| ▸ | AR | P10275 | 3/20 | 0.77 |
| ▸ | TSHR | P16473 | 2/20 | 0.77 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.77 |
| ▸ | STS | P08842 | 2/20 | 0.77 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.77 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.77 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.77 |
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 SCHEMBL22092636 | 1.00 | ESR1 (0.77) | ESR1LMNAMAPTKMT2AESR2 | |
| Estradiol SCHEMBL7638916 | 1.00 | ESR1 (0.77) | ESR1LMNAMAPTKMT2AESR2 | |
| Estradiol SCHEMBL7186616 | 1.00 | ESR1 (0.77) | ESR1LMNAMAPTKMT2AESR2 | |
| Estradiol SCHEMBL40565 | 1.00 | ESR1 (0.77) | ESR1LMNAMAPTKMT2AESR2 | |
| Estradiol SCHEMBL26659961 | 0.97 | ESR1 (0.75) | ESR1LMNAMAPTKMT2AESR2 | |
| Estradiol SCHEMBL28365778 | 0.96 | ESR1 (0.71) | ESR1LMNAMAPTKMT2AESR2 | |
| Estradiol SCHEMBL17419455 | 0.96 | ESR1 (0.74) | ESR1LMNAMAPTKMT2AESR2 | |
| Stearic Acid SCHEMBL7751689 | 0.96 | ESR1 (0.74) | ESR1LMNAMAPTKMT2AESR2 | |
| Estradiol SCHEMBL547939 | 0.96 | ESR1 (0.74) | ESR1LMNAMAPTKMT2AESR2 | |
| Estradiol SCHEMBL26659977 | 0.96 | ESR1 (0.74) | ESR1LMNAMAPTKMT2AESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0693932-A4 | METHODS AND COMPOSITIONS FOR INDUCING PHASE SEPARATION OF EPITHELIAL LIPID BILAYERS | CELLEGY PHARMA INC (US) | 2000-06-14 | — | — | EP | disclosed |
| EP-0693932-A1 | METHODS AND COMPOSITIONS FOR INDUCING PHASE SEPARATION OF EPITHELIAL LIPID BILAYERS | CELLEGY PHARMACEUTICALS, INC. (US) | 1996-01-31 | — | — | EP | disclosed |
| WO-1994021271-A1 | METHODS AND COMPOSITIONS FOR INDUCING PHASE SEPARATION OF EPITHELIAL LIPID BILAYERS | CELLEGY PHARMACEUTICALS, INC. (US) | 1994-09-29 | — | — | WO | disclosed |