Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.47 |
| ▸ | STS | P08842 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.42 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL10626517 | 1.00 | ESR1 (0.48) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL10602341 | 0.92 | ESR1 (0.48) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL10629838 | 0.92 | ESR1 (0.48) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL1657388 | 0.88 | STS (0.47) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL10629831 | 0.82 | STS (0.44) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL10603122 | 0.82 | STS (0.44) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL10626518 | 0.81 | STS (0.70) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL10600920 | 0.81 | STS (0.70) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL10627675 | 0.81 | STS (0.70) | ESR1NR3C1ESR2NR3C2STS | |
| SCHEMBL10599542 | 0.81 | STS (0.70) | ESR1NR3C1ESR2NR3C2STS |
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-0169515-B1 | 17-HALOVINYL ESTRANE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN MEDICINES | SCHERING AKTIENGESELLSCHAFT (DE) | 1989-10-11 | — | — | EP | claimed |
| EP-0169515-B1 | 17-HALOVINYL ESTRANE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN MEDICINES | SCHERING AKTIENGESELLSCHAFT (DE) | 1989-10-11 | — | — | EP | disclosed |
| US-4725426-A | Estrogenic 17α-halogen-vinylestranes | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-02-16 | — | — | US | disclosed |