Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | STS | P08842 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | PGR | P06401 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1657345 | 0.82 | ESR1 (0.53) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL7132037 | 0.77 | STS (0.49) | ESR1ESR2STSCYP3A4PGR | |
| SCHEMBL5155997 | 0.76 | SRD5A2 (0.39) | ESR1NR3C1ESR2STSCYP3A4 | |
| SCHEMBL7060055 | 0.75 | STS (0.34) | ESR1ESR2STSCYP3A4PGR | |
| SCHEMBL1657344 | 0.73 | STS (0.39) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL1656550 | 0.71 | STS (0.73) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL7166132 | 0.71 | STS (0.73) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL4572560 | 0.71 | STS (0.73) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL8638232 | 0.69 | STS (0.51) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL16536413 | 0.68 | ACHE (0.36) | HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1405860-A1 | Estrone sulfamate inhibitors of estrone sulfatase, and associated pharmaceutical compositions and methods of use | SRI INTERNATIONAL (US) | 2004-04-07 | — | — | EP | disclosed |