Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5766299 | 0.77 | GSK3B (0.49) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL6213946 | 0.76 | PDE4A (0.76) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5144801 | 0.74 | PDE4A (0.45) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5764538 | 0.73 | HPGD (0.39) | PDE4APDE4BPDE4CPDE4DCFTR | |
| SCHEMBL5561428 | 0.72 | PDE4A (0.78) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5764331 | 0.72 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5144835 | 0.72 | PDE4A (0.50) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5787691 | 0.72 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5766160 | 0.72 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5749676 | 0.71 | HPGD (0.47) | PDE4APDE4BPDE4CPDE4DPDE3B |
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-1509507-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2006-09-13 | — | — | EP | disclosed |
| EP-1509507-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2005-03-02 | — | — | EP | disclosed |
| WO-2003099211-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-12-04 | — | — | WO | disclosed |