Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Estrone Sulfuric Acid. 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 | 2/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | STS | P08842 | 9/20 | 0.90 |
| ▸ | ABCC4 | O15439 | 3/20 | 0.90 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.90 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.90 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.90 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.73 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.73 |
| ▸ | CA1 | P00915 | 2/20 | 0.73 |
| ▸ | CA2 | P00918 | 2/20 | 0.73 |
| ▸ | CA9 | Q16790 | 2/20 | 0.73 |
| ▸ | CA4 | P22748 | 1/20 | 0.73 |
| ▸ | CA6 | P23280 | 1/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | MAPT | P10636 | 2/20 | 0.69 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.69 |
| ▸ | RECQL | P46063 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| Estrone Sulfuric Acid SCHEMBL4443808 | 1.00 | CYP3A4 (1.00) | CYP3A4STSABCC4ABCC1CYP2C9 | |
| Estrone Sulfuric Acid SCHEMBL21577 | 1.00 | CYP3A4 (1.00) | CYP3A4STSABCC4ABCC1CYP2C9 | |
| Estrone Sulfuric Acid SCHEMBL481201 | 1.00 | CYP3A4 (1.00) | CYP3A4STSABCC4ABCC1CYP2C9 | |
| Estrone Sulfuric Acid SCHEMBL29366794 | 1.00 | CYP3A4 (1.00) | CYP3A4STSABCC4ABCC1CYP2C9 | |
| Estrone Sulfuric Acid SCHEMBL7216979 | 1.00 | CYP3A4 (1.00) | CYP3A4STSABCC4ABCC1CYP2C9 | |
| Estrone Sulfuric Acid SCHEMBL19100296 | 0.99 | CYP3A4 (0.98) | CYP3A4STSABCC4ABCC1CYP2C9 | |
| Estrone Sulfuric Acid SCHEMBL6931138 | 0.99 | CYP3A4 (0.98) | CYP3A4STSABCC4ABCC1CYP2C9 | |
| Estrone Sulfuric Acid SCHEMBL14844580 | 0.99 | CYP3A4 (0.98) | CYP3A4STSABCC4ABCC1CYP2C9 | |
| Estrone Sulfuric Acid SCHEMBL23834600 | 0.96 | CYP3A4 (0.93) | CYP3A4STSABCC4ABCC1CYP2C9 | |
| Estrone Sulfuric Acid SCHEMBL10772904 | 0.96 | CYP3A4 (0.93) | CYP3A4STSABCC4ABCC1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1490070-A2 | USE OF CONJUGATED ESTROGENS IN COMBINATION WITH TRIMEGESTONE IN HORMONE REPLACEMENT THERAPY | Wyeth (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003084521-A2 | USE OF CONJUGATED ESTROGENS IN COMBINATION WITH TRIMEGESTONE IN HORMONE REPLACEMENT THERAPY | WYETH (US) | 2003-10-16 | — | — | WO | disclosed |