Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.41 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 2/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CKS1B | P61024 | 1/20 | 0.39 |
| ▸ | SKP1 | P63208 | 1/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4191215 | 1.00 | HPGD (0.44) | HPGDPARP1KAT8PDE4APDE4B | |
| SCHEMBL5840688 | 1.00 | HPGD (0.44) | HPGDPARP1KAT8PDE4APDE4B | |
| SCHEMBL14536468 | 0.89 | HPGD (0.41) | HPGDPARP1KAT8PDE4APDE4B | |
| SCHEMBL4186405 | 0.88 | CRHR1 (0.52) | IRAK4CRHR1BTKJAK3PBK | |
| SCHEMBL8297682 | 0.88 | CRHR1 (0.52) | IRAK4CRHR1BTKJAK3PBK | |
| SCHEMBL4191377 | 0.87 | CRHR1 (0.44) | IRAK4CRHR1SSTR4BTKJAK3 | |
| SCHEMBL8297689 | 0.87 | CRHR1 (0.44) | IRAK4CRHR1SSTR4BTKJAK3 | |
| SCHEMBL27609552 | 0.85 | NPC1 (0.46) | HPGDRAB9AKMT2A | |
| SCHEMBL5768960 | 0.85 | TP53 (0.51) | KMT2AL3MBTL1 | |
| SCHEMBL8352231 | 0.83 | HPGD (0.50) | HPGDPDE4APDE4BPDE4DCRHR1 |
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 |