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 | 0.91 |
| ▸ | LMNA | P02545 | 4/20 | 0.91 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.91 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.91 |
| ▸ | PGR | P06401 | 3/20 | 0.91 |
| ▸ | AR | P10275 | 3/20 | 0.91 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.91 |
| ▸ | TSHR | P16473 | 2/20 | 0.91 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.91 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.91 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.91 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.91 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.91 |
| ▸ | SHBG | P04278 | 2/20 | 0.91 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.91 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.91 |
| ▸ | SNCA | P37840 | 2/20 | 0.91 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.91 |
| ▸ | MEN1 | O00255 | 1/20 | 0.91 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.91 |
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 SCHEMBL1781434 | 0.95 | ESR1 (0.91) | ESR1LMNAESR2HSD17B10PGR | |
| Estradiol SCHEMBL10039358 | 0.95 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10PGR | |
| Estradiol SCHEMBL10039280 | 0.95 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10PGR | |
| Estradiol SCHEMBL19235633 | 0.95 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10PGR | |
| Estradiol SCHEMBL18258335 | 0.95 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10PGR | |
| Estradiol SCHEMBL24037697 | 0.95 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10PGR | |
| Estradiol SCHEMBL7037626 | 0.95 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10PGR | |
| Estradiol SCHEMBL13153302 | 0.95 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10PGR | |
| Estradiol SCHEMBL15610524 | 0.95 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10PGR | |
| Estradiol SCHEMBL13252493 | 0.95 | ESR1 (1.00) | ESR1LMNAESR2HSD17B10PGR |
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-7019164-B2 | Process for the production of (poly)isocyanates in the gas phase | BAYER AKTIENGESELLSCHAFT (DE) | 2006-03-28 | — | — | US | disclosed |
| US-20030114705-A1 | Process for the production of (poly)isocyanates in the gas phase | COVESTRO DEUTSCHLAND AG (DE) | 2003-06-19 | — | — | US | disclosed |