Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Estriol. 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 | 5/20 | 0.89 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.89 |
| ▸ | LMNA | P02545 | 4/20 | 0.89 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.89 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.89 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.89 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.89 |
| ▸ | SHBG | P04278 | 2/20 | 0.89 |
| ▸ | PGR | P06401 | 2/20 | 0.89 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.89 |
| ▸ | AR | P10275 | 2/20 | 0.89 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.89 |
| ▸ | SNCA | P37840 | 2/20 | 0.89 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.89 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.89 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.89 |
| ▸ | UGT1A10 | Q9HAW8 | 1/20 | 0.89 |
| ▸ | HSD17B1 | P14061 | 6/20 | 0.65 |
| ▸ | STS | P08842 | 2/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Estriol SCHEMBL2519922 | 1.00 | ESR1 (0.89) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Estriol SCHEMBL28444514 | 1.00 | ESR1 (0.89) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Estriol SCHEMBL223226 | 0.94 | ESR1 (1.00) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Estriol SCHEMBL8941750 | 0.94 | ESR1 (1.00) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Estriol SCHEMBL2001122 | 0.94 | ESR1 (1.00) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Estriol SCHEMBL23743979 | 0.94 | ESR1 (1.00) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Estriol SCHEMBL223196 | 0.94 | ESR1 (1.00) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Estriol SCHEMBL4896486 | 0.94 | ESR1 (1.00) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Estriol SCHEMBL14373308 | 0.94 | ESR1 (1.00) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Epiestriol SCHEMBL221084 | 0.94 | ESR1 (1.00) | ESR1ESR2LMNACYP2C9CYP2C19 |
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-6274118-B1 | INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE | NORDION INTERNATIONAL INC. (CA) | 2001-08-14 | — | — | US | disclosed |
| WO-1995002424-A1 | LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN | NORDION INTERNATIONAL INC. (CA) | 1995-01-26 | — | — | WO | disclosed |