Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 17/20 | 0.54 |
| ▸ | PDE4A | P27815 | 2/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6063464 | 1.00 | PDE4B (0.54) | PDE4BPDE4APDE4DPDE4CPTGER4 | |
| Hydrochloric Acid SCHEMBL6063423 | 0.89 | PDE4B (0.54) | PDE4BPDE4APDE4DCYP3A4CYP2C9 | |
| SCHEMBL8353076 | 0.87 | PDE4B (0.47) | PDE4BPDE4APDE4DCYP3A4CYP2C9 | |
| SCHEMBL6064384 | 0.87 | PDE4B (0.47) | PDE4BPDE4APDE4DCYP3A4CYP2C9 | |
| SCHEMBL8352461 | 0.86 | PDE4B (0.59) | PDE4BPDE4APDE4DPTGER4 | |
| SCHEMBL6063356 | 0.86 | PDE4B (0.59) | PDE4BPDE4APDE4DPTGER4 | |
| SCHEMBL8353996 | 0.86 | PDE4B (0.53) | PDE4BPDE4APDE4DPTGER4CYP3A4 | |
| SCHEMBL6063303 | 0.86 | PDE4B (0.53) | PDE4BPDE4APDE4DPTGER4CYP3A4 | |
| SCHEMBL6901772 | 0.85 | PDE4B (0.46) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| SCHEMBL6063109 | 0.84 | PDE4B (0.50) | PDE4BPDE4APDE4DPDE4CCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003068233-A1 | NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES | PFIZER LIMITED (GB) | 2003-08-21 | — | — | WO | disclosed |
| WO-2003068235-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LIMITED (GB) | 2003-08-21 | — | — | WO | disclosed |