Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Estradiol Valerate. 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 | 0.93 |
| ▸ | LMNA | P02545 | 8/20 | 0.93 |
| ▸ | MAPT | P10636 | 7/20 | 0.93 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.93 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.93 |
| ▸ | MEN1 | O00255 | 6/20 | 0.93 |
| ▸ | TP53 | P04637 | 3/20 | 0.93 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.93 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.93 |
| ▸ | PGR | P06401 | 3/20 | 0.93 |
| ▸ | AR | P10275 | 3/20 | 0.93 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.93 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.93 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.93 |
| ▸ | POLB | P06746 | 1/20 | 0.93 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.93 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.93 |
| ▸ | ATM | Q13315 | 1/20 | 0.93 |
| ▸ | USP2 | O75604 | 1/20 | 0.93 |
| ▸ | MAPK1 | P28482 | 3/20 | 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 | |
|---|---|---|---|---|
| Estradiol Valerate SCHEMBL29648216 | 0.96 | LMNA (1.00) | LMNAMAPTKMT2ACYP3A4MEN1 | |
| Estradiol Valerate SCHEMBL40563 | 0.96 | LMNA (1.00) | LMNAMAPTKMT2ACYP3A4MEN1 | |
| Estradiol Valerate SCHEMBL6195972 | 0.96 | LMNA (1.00) | LMNAMAPTKMT2ACYP3A4MEN1 | |
| Estradiol Valerate SCHEMBL30037638 | 0.96 | LMNA (1.00) | LMNAMAPTKMT2ACYP3A4MEN1 | |
| Estradiol Valerate SCHEMBL21437462 | 0.96 | LMNA (1.00) | LMNAMAPTKMT2ACYP3A4MEN1 | |
| Estradiol Valerate SCHEMBL29772962 | 0.96 | LMNA (1.00) | LMNAMAPTKMT2ACYP3A4MEN1 | |
| Estradiol Undecylate SCHEMBL547225 | 0.94 | LMNA (0.82) | LMNAMAPTKMT2ACYP3A4MEN1 | |
| Estradiol Undecylate SCHEMBL453172 | 0.93 | LMNA (0.93) | LMNAMAPTKMT2ACYP3A4MEN1 | |
| SCHEMBL11596845 | 0.93 | LMNA (0.93) | LMNAMAPTKMT2ACYP3A4MEN1 | |
| SCHEMBL7751687 | 0.93 | LMNA (0.93) | LMNAMAPTKMT2ACYP3A4MEN1 |
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-20080279936-A1 | Estradiol metabolites for reduction of endothelin production | THE UNIVERSITY OF PITTSBURGH | 2008-11-13 | — | — | US | disclosed |
| EP-1016412-A1 | DENTAL REMEDIES CONTAINING PTH | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2000-07-05 | — | — | EP | disclosed |