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 | 0.89 |
| ▸ | LMNA | P02545 | 7/20 | 0.89 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.89 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.89 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.89 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.89 |
| ▸ | MEN1 | O00255 | 3/20 | 0.89 |
| ▸ | TSHR | P16473 | 2/20 | 0.89 |
| ▸ | PGR | P06401 | 2/20 | 0.89 |
| ▸ | AR | P10275 | 2/20 | 0.89 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.89 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.89 |
| ▸ | RECQL | P46063 | 2/20 | 0.89 |
| ▸ | MAPT | P10636 | 2/20 | 0.89 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.89 |
| ▸ | SHBG | P04278 | 2/20 | 0.89 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.89 |
| ▸ | HTR2B | P41595 | 2/20 | 0.89 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.89 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.89 |
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 SCHEMBL8092599 | 1.00 | ESR1 (0.89) | ESR1LMNAHSD17B10ESR2KMT2A | |
| Estradiol SCHEMBL301392 | 1.00 | ESR1 (0.89) | ESR1LMNAHSD17B10ESR2KMT2A | |
| Estradiol SCHEMBL9273501 | 0.94 | ESR1 (0.87) | ESR1LMNAHSD17B10ESR2KMT2A | |
| Estradiol SCHEMBL5887626 | 0.94 | ESR1 (0.91) | ESR1LMNAHSD17B10ESR2KMT2A | |
| Estradiol SCHEMBL28211603 | 0.94 | ESR1 (0.95) | ESR1LMNAHSD17B10ESR2KMT2A | |
| Estradiol SCHEMBL24037697 | 0.94 | ESR1 (1.00) | ESR1LMNAHSD17B10ESR2KMT2A | |
| Estradiol SCHEMBL18258335 | 0.94 | ESR1 (1.00) | ESR1LMNAHSD17B10ESR2KMT2A | |
| Estradiol SCHEMBL15610005 | 0.94 | ESR1 (1.00) | ESR1LMNAHSD17B10ESR2KMT2A | |
| Estradiol SCHEMBL19235633 | 0.94 | ESR1 (1.00) | ESR1LMNAHSD17B10ESR2KMT2A | |
| Estradiol SCHEMBL7260525 | 0.94 | ESR1 (1.00) | ESR1LMNAHSD17B10ESR2KMT2A |
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-20100056483-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF BONE LOSS | OHIO UNIVERSITY (US) | 2010-03-04 | — | — | US | claimed |
| US-20100056483-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF BONE LOSS | OHIO UNIVERSITY (US) | 2010-03-04 | — | — | US | disclosed |