Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | SHBG | P04278 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | CCKBR | P32239 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13481323 | 1.00 | ESR1 (0.45) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL9197781 | 0.82 | ESR1 (0.60) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL8410722 | 0.82 | SHBG (0.33) | ESR1SHBGALDH1A1ESR2SLC22A1 | |
| SCHEMBL8410931 | 0.82 | SHBG (0.33) | ESR1SHBGALDH1A1ESR2SLC22A1 | |
| SCHEMBL8409466 | 0.82 | SHBG (0.33) | ESR1SHBGALDH1A1ESR2SLC22A1 | |
| SCHEMBL23397901 | 0.80 | SHBG (0.52) | ESR1SLC6A4CYP2C19PGRAR | |
| SCHEMBL13481321 | 0.80 | SHBG (0.52) | ESR1SLC6A4CYP2C19PGRAR | |
| SCHEMBL8410443 | 0.80 | SHBG (0.52) | ESR1SLC6A4CYP2C19PGRAR | |
| SCHEMBL13481325 | 0.80 | ESR1 (0.49) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL14946861 | 0.80 | SHBG (0.52) | ESR1SLC6A4CYP2C19PGRAR |
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-0643070-B1 | Steroid intermediates and process for their preparation | JENAPHARM GMBH (DE) | 1999-07-21 | — | — | EP | disclosed |
| US-5831104-A | Steroid intermediate products and method of their production | JENAPHARM GMBH (DE) | 1998-11-03 | — | — | US | disclosed |
| EP-0643070-A1 | Steroid intermediates and process for their preparation | JENAPHARM GmbH (DE) | 1995-03-15 | — | — | EP | disclosed |