Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 8/20 | 0.44 |
| ▸ | ABCC4 | O15439 | 3/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6633748 | 1.00 | STS (0.44) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| SCHEMBL6636478 | 0.83 | ABCC1 (0.48) | STSABCC4ABCC1CYP2C9SHBG | |
| SCHEMBL7097126 | 0.83 | ABCC1 (0.48) | STSABCC4ABCC1CYP2C9SHBG | |
| SCHEMBL7082645 | 0.81 | SHBG (0.62) | STSCYP2C9SHBGESR1CYP3A4 | |
| SCHEMBL3381342 | 0.81 | SHBG (0.67) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| SCHEMBL1259385 | 0.81 | SHBG (0.67) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| SCHEMBL7082868 | 0.78 | STS (0.68) | STSESR1ESR2CA1CA2 | |
| SCHEMBL7082866 | 0.78 | STS (0.68) | STSESR1ESR2CA1CA2 | |
| SCHEMBL6869676 | 0.78 | STS (0.70) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| SCHEMBL712799 | 0.78 | STS (0.70) | STSABCC4ABCC1CYP2C9SLCO1B1 |
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-1418921-A1 | ANTI-TUMOUR 2-ALKOXYESTRADIOL SULFAMATES | Schering AG (DE) | 2004-05-19 | — | — | EP | disclosed |
| WO-2003015792-A1 | ANTI-TUMOUR 2-ALKOXYESTRADIOL SULFAMATES | SCHERING AG (DE) | 2003-02-27 | — | — | WO | disclosed |