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 | 0.80 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 1.00 |
| ▸ | STS | P08842 | 11/20 | 0.80 |
| ▸ | CA1 | P00915 | 3/20 | 0.80 |
| ▸ | CA2 | P00918 | 3/20 | 0.80 |
| ▸ | CA9 | Q16790 | 3/20 | 0.80 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.80 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.80 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.80 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.80 |
| ▸ | CA4 | P22748 | 1/20 | 0.80 |
| ▸ | CA6 | P23280 | 1/20 | 0.80 |
| ▸ | LMNA | P02545 | 2/20 | 0.76 |
| ▸ | MAPT | P10636 | 2/20 | 0.76 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.76 |
| ▸ | RECQL | P46063 | 1/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.67 |
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 SCHEMBL939946 | 1.00 | KDM4E (1.00) | KDM4ESTSCA1CA2CA9 | |
| Estrone Sulfuric Acid SCHEMBL8901903 | 1.00 | KDM4E (1.00) | KDM4ESTSCA1CA2CA9 | |
| Estrone Sulfuric Acid SCHEMBL29950318 | 0.98 | KDM4E (0.96) | KDM4ESTSCA1CA2CA9 | |
| Estrone Sulfuric Acid SCHEMBL4812138 | 0.98 | KDM4E (0.96) | KDM4ESTSCA1CA2CA9 | |
| Estrone Sulfuric Acid SCHEMBL2296097 | 0.98 | KDM4E (0.96) | KDM4ESTSCA1CA2CA9 | |
| Estrone Sulfuric Acid SCHEMBL4616 | 0.98 | KDM4E (0.96) | KDM4ESTSCA1CA2CA9 | |
| SCHEMBL21067318 | 0.91 | STS (0.84) | KDM4ESTSCA1CA2CA9 | |
| SCHEMBL8034430 | 0.90 | STS (0.82) | KDM4ESTSCA1CA2CA9 | |
| SCHEMBL17531381 | 0.90 | STS (0.82) | KDM4ESTSCA1CA2CA9 | |
| Emate SCHEMBL10062721 | 0.89 | STS (1.00) | KDM4ESTSCA1CA2CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105769998-A | Application of Danhong injection as uptake type transporter OATP inhibitor | 佛山市科之康医药科技有限公司 | 2016-07-20 | — | — | CN | disclosed |