Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 10/20 | 0.78 |
| ▸ | CA2 | P00918 | 5/20 | 0.78 |
| ▸ | CA9 | Q16790 | 5/20 | 0.78 |
| ▸ | CA1 | P00915 | 2/20 | 0.78 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.73 |
| ▸ | 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 |
| ▸ | THRB | P10828 | 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 SCHEMBL6438712 | 0.98 | STS (0.78) | STSCA2CA9CA1ABCC4 | |
| Potassium Ion SCHEMBL28302250 | 0.89 | STS (0.81) | STSCA2CA9CA1ABCC4 | |
| SCHEMBL12192152 | 0.88 | STS (1.00) | STSCA2CA9CA1ABCC4 | |
| SCHEMBL5168626 | 0.88 | STS (1.00) | STSCA2CA9CA1ABCC4 | |
| SCHEMBL5167329 | 0.88 | STS (1.00) | STSCA2CA9CA1ABCC4 | |
| SCHEMBL1316422 | 0.87 | STS (0.81) | STSCA2CA9CA1ABCC4 | |
| SCHEMBL6437576 | 0.87 | STS (0.81) | STSCA2CA9CA1ABCC4 | |
| SCHEMBL1317754 | 0.87 | STS (0.81) | STSCA2CA9CA1ABCC4 | |
| Estradiol Disulfate SCHEMBL231199 | 0.86 | ABCC4 (1.00) | STSCA2CA9CA1ABCC4 | |
| Potassium Ion SCHEMBL5265396 | 0.85 | KDM4E (0.72) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1151295-A4 | METHODS OF IDENTIFYING THERAPEUTICALLY EFFECTIVE ANTINEOPLASTIC AGENTS WITH CULTURED CELLS HAVING INTACT CELL MEMBRANES AND CORRESPONDING PRODUCTS | CYTOVIA INC (US) | 2005-03-30 | — | — | EP | claimed |
| EP-1151295-A1 | METHODS OF IDENTIFYING THERAPEUTICALLY EFFECTIVE ANTINEOPLASTIC AGENTS WITH CULTURED CELLS HAVING INTACT CELL MEMBRANES AND CORRESPONDING PRODUCTS | Cytovia, Inc. (US) | 2001-11-07 | — | — | EP | claimed |
| WO-2000045165-A1 | METHODS OF IDENTIFYING THERAPEUTICALLY EFFECTIVE ANTINEOPLASTIC AGENTS WITH CULTURED CELLS HAVING INTACT CELL MEMBRANES AND CORRESPONDING PRODUCTS | CYTOVIA, INC. (US) | 2000-08-03 | — | — | WO | claimed |