Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 4/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 4/20 | 0.36 |
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
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 | 0.85 | PDK1 (0.57) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL13768723 | 0.74 | PDK1 (0.47) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL3173361 | 0.70 | PDK1 (0.70) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL3444251 | 0.70 | PDK1 (0.70) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL13013654 | 0.69 | AR (0.58) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL13797698 | 0.68 | PGR (0.45) | PGRARNR3C1SLC6A4 | |
| SCHEMBL16404188 | 0.67 | PGR (0.79) | NR1I2PGRARNR3C1ADORA3 | |
| SCHEMBL13474786 | 0.67 | NR1I2 (0.37) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL13306296 | 0.66 | PDK1 (0.54) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL5173779 | 0.65 | NR1I2 (0.62) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2009083268-A2 | 17-(1'-PROPENYL)-17-3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-07-09 | — | — | WO | disclosed |