Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Estradiol Disulfate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.78 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.78 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.58 |
| ▸ | STS | P08842 | 10/20 | 0.78 |
| ▸ | CA9 | Q16790 | 5/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.76 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.75 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
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 Disulfate SCHEMBL6409238 | 0.98 | STS (0.78) | STSCA2CA9CA1KDM4E | |
| SCHEMBL6437576 | 0.89 | STS (0.81) | STSCA2CA9CA1KDM4E | |
| SCHEMBL1316422 | 0.89 | STS (0.81) | STSCA2CA9CA1KDM4E | |
| SCHEMBL1317754 | 0.89 | STS (0.81) | STSCA2CA9CA1KDM4E | |
| SCHEMBL12192152 | 0.88 | STS (1.00) | STSCA2CA9CA1KDM4E | |
| SCHEMBL5168626 | 0.88 | STS (1.00) | STSCA2CA9CA1KDM4E | |
| SCHEMBL5167329 | 0.88 | STS (1.00) | STSCA2CA9CA1KDM4E | |
| SCHEMBL4966962 | 0.87 | KDM4E (1.00) | STSCA2CA9CA1KDM4E | |
| SCHEMBL2291502 | 0.87 | KDM4E (1.00) | STSCA2CA9CA1KDM4E | |
| Potassium Ion SCHEMBL28302250 | 0.87 | STS (0.81) | STSCA2CA9CA1ABCC4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6855703-B1 | Pharmaceutical compositions of conjugated estrogens and methods of analyzing mixtures containing estrogenic compounds | ENDEAVOR PHARMACEUTICALS (US) | 2005-02-15 | — | — | US | disclosed |
| EP-1267852-A2 | PHARMACEUTICAL COMPOSITIONS OF CONJUGATED ESTROGENS AND METHODS OF ANALYZING MIXTURES CONTAINING ESTROGENIC COMPOUNDS | Endeavor Pharmaceuticals (US) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001068074-A2 | PHARMACEUTICAL COMPOSITIONS OF CONJUGATED ESTROGENS AND METHODS OF ANALYZING MIXTURES CONTAINING ESTROGENIC COMPOUNDS | ENDEAVOR PHARMACEUTICALS (US) | 2001-09-20 | — | — | WO | disclosed |