Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 2/20 | 0.47 |
| ▸ | PGR | P06401 | 5/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 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 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.44 |
| ▸ | AR | P10275 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL354932 | 0.85 | PGR (0.49) | NR1I2PGRSLC6A4NR3C1ADORA3 | |
| SCHEMBL5173779 | 0.85 | NR1I2 (0.62) | NR1I2PGRSLC6A4NR3C1ADORA3 | |
| SCHEMBL5173777 | 0.85 | NR1I2 (0.62) | NR1I2PGRSLC6A4NR3C1ADORA3 | |
| SCHEMBL13333290 | 0.74 | AR (0.55) | PGRSLC6A4NR3C1ARMEN1 | |
| SCHEMBL13333288 | 0.74 | AR (0.55) | PGRSLC6A4NR3C1ARMEN1 | |
| SCHEMBL13474788 | 0.72 | AR (0.43) | NR1I2PGRSLC6A4NR3C1ADORA3 | |
| SCHEMBL3444251 | 0.72 | PDK1 (0.70) | NR1I2PGRSLC6A4NR3C1ADORA3 | |
| SCHEMBL3173361 | 0.72 | PDK1 (0.70) | NR1I2PGRSLC6A4NR3C1ADORA3 | |
| SCHEMBL8211998 | 0.70 | AR (0.60) | PGRSLC6A4NR3C1ADORA3SLC6A2 | |
| SCHEMBL8467502 | 0.70 | PGR (0.56) | NR1I2PGRSLC6A4NR3C1ADORA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1641812-A1 | PURE D-(17a)-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 VEGYESZETI GYAR R.T. (HU) | 2006-04-05 | — | — | EP | claimed |
| WO-2005000867-A1 | PURE D-(17α)-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 Vegyészeti Gyár Rt. (HU) | 2005-01-06 | — | — | WO | claimed |