Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 7/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.53 |
| ▸ | PDE4A | P27815 | 2/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.53 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 8/20 | 0.48 |
| ▸ | TOP2A | P11388 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7401499 | 0.86 | KDM1A (0.53) | PDE4BPDE4DPDE4APDE4CNPBWR1 | |
| SCHEMBL3161256 | 0.81 | NPBWR1 (0.49) | PDE4BPDE4DPDE4APDE4CNPBWR1 | |
| SCHEMBL3165435 | 0.81 | PDE4B (0.54) | PDE4BPDE4DPDE4APDE4CGPR119 | |
| SCHEMBL3160201 | 0.81 | GPR119 (0.49) | PDE4DNPBWR1MCHR1GPR119 | |
| SCHEMBL3164585 | 0.81 | GPR119 (0.51) | PDE4BPDE4DPDE4APDE4CNPBWR1 | |
| SCHEMBL3164057 | 0.80 | NPBWR1 (0.48) | PDE4BPDE4DPDE4APDE4CNPBWR1 | |
| SCHEMBL6486054 | 0.80 | PDE4B (0.69) | PDE4BPDE4DPDE4APDE4CGPR119 | |
| SCHEMBL3168196 | 0.80 | NPBWR1 (0.48) | PDE4BNPBWR1MCHR1GPR119 | |
| SCHEMBL5098530 | 0.79 | KDM1A (0.55) | PDE4BPDE4DPDE4APDE4CGPR119 | |
| SCHEMBL7355186 | 0.79 | GPR119 (0.54) | PDE4BPDE4DPDE4APDE4CGPR119 |
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-0805681-A4 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1998-05-06 | — | — | EP | disclosed |
| EP-0805681-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022775-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | disclosed |