Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 10/20 | 0.70 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.70 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.70 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.70 |
| ▸ | ESR1 | P03372 | 2/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.70 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.70 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.70 |
| ▸ | SHBG | P04278 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | PGR | P06401 | 1/20 | 0.70 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.70 |
| ▸ | AR | P10275 | 1/20 | 0.70 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL712799 | 1.00 | STS (0.70) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| SCHEMBL17515290 | 0.93 | STS (0.61) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| SCHEMBL8408458 | 0.89 | STS (0.71) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| Estrone SCHEMBL22847 | 0.85 | STS (0.91) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| Estrone SCHEMBL6693553 | 0.85 | STS (0.91) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| Estrone SCHEMBL669802 | 0.84 | STS (0.89) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| Estrone SCHEMBL22551313 | 0.84 | STS (0.89) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| SCHEMBL22382721 | 0.84 | STS (0.73) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| Estrone SCHEMBL8901907 | 0.84 | STS (0.89) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| SCHEMBL27464072 | 0.84 | STS (0.76) | STSABCC4CYP2C9ABCC1SLCO1B1 |
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-0775155-B1 | ESTRA-1,3,5(10)-TRIENE DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SCHERING AG (DE) | 2004-05-06 | — | — | EP | claimed |
| EP-0775156-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING ESTRA-1,3,5(10)-TRIENE DERIVATIVES | JENAPHARM GMBH (DE) | 2003-09-03 | — | — | EP | claimed |
| EP-0775155-B1 | ESTRA-1,3,5(10)-TRIENE DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SCHERING AG (DE) | 2004-05-06 | — | — | EP | disclosed |