Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 6/20 | 0.58 |
| ▸ | PDE4A | P27815 | 1/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.58 |
| ▸ | PTGER4 | P35408 | 8/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6063497 | 1.00 | PDE4B (0.58) | PDE4BPDE4APDE4DPTGER4EPHX2 | |
| SCHEMBL6063665 | 0.91 | PDE4B (0.55) | PDE4BPDE4APDE4DPTGER4EPHX2 | |
| SCHEMBL6064475 | 0.89 | PDE4B (0.53) | PDE4BPDE4APDE4DPTGER4PTGER2 | |
| SCHEMBL6063391 | 0.88 | PDE4B (0.58) | PDE4BPDE4APDE4DPTGER4CNR2 | |
| SCHEMBL8353587 | 0.88 | PDE4B (0.58) | PDE4BPDE4APDE4DPTGER4CNR2 | |
| SCHEMBL6062652 | 0.86 | PDE4B (0.59) | PDE4BPDE4APDE4DPTGER4CNR2 | |
| SCHEMBL8349396 | 0.86 | PDE4B (0.59) | PDE4BPDE4APDE4DPTGER4CNR2 | |
| SCHEMBL8352911 | 0.85 | PDE4B (0.60) | PDE4BPDE4APDE4DPTGER4CNR2 | |
| SCHEMBL8351599 | 0.84 | PDE4B (0.60) | PDE4BPDE4APDE4DPTGER4 | |
| SCHEMBL6063667 | 0.84 | PDE4B (0.60) | PDE4BPDE4APDE4DPTGER4 |
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 |