Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 4/20 | 0.54 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.54 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.54 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.45 |
| ▸ | PGR | P06401 | 4/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 2/20 | 0.36 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13770133 | 0.78 | PDK1 (0.57) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL13770350 | 0.73 | CYP19A1 (0.54) | SLC6A4PGRNR3C1SHBGSERPINA6 | |
| SCHEMBL3444251 | 0.73 | PDK1 (0.70) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL3173361 | 0.73 | PDK1 (0.70) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL22382702 | 0.72 | NR1I2 (0.74) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL13770468 | 0.71 | PDK1 (0.40) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL6841786 | 0.71 | PDK1 (1.00) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL13770470 | 0.70 | CYP19A1 (0.56) | SLC6A4PGRNR3C1SHBGSERPINA6 | |
| SCHEMBL13796867 | 0.70 | PDK1 (0.43) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL4113441 | 0.69 | NR1I2 (0.58) | PDK1PDK2PDK3PDK4NR1I2 |
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-1641812-B1 | PURE d-(17alpha)-13-ETHYL-17-HYDROXY-18,19-DINORPREGN-4-ENE-20-YNE-3-ONE-3E- AND -3Z-OXIME ISOMERS, AS WELL AS PROCESS FOR THE SYNTHESIS OF THE MIXTURE OF ISOMERS AND THE PURE ISOMERS | RICHTER GEDEON NYRT (HU) | 2010-06-09 | — | — | EP | disclosed |