Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 14/20 | 0.73 |
| ▸ | PDE4B | Q07343 | 14/20 | 0.73 |
| ▸ | PDE4C | Q08493 | 14/20 | 0.73 |
| ▸ | PDE4D | Q08499 | 14/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | NPC1 | O15118 | 2/20 | 0.66 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.64 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL30537073 | 0.85 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL8182729 | 0.85 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL30537074 | 0.85 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL25307435 | 0.84 | PDE4A (0.71) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL30537071 | 0.84 | PDE4A (0.78) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL30537069 | 0.82 | PDE4A (0.74) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7419943 | 0.81 | KMT2A (0.79) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7425035 | 0.80 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL25306280 | 0.80 | PDE4A (0.69) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL25306092 | 0.80 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5919789-A | Xanthines and their therapeutic use | DARWIN DISCOVERY LIMITED (GB) | 1999-07-06 | — | — | US | claimed |
| EP-0944630-A1 | XANTHINES AND THEIR THERAPEUTIC USE | Darwin Discovery Limited (GB) | 1999-09-29 | — | — | EP | disclosed |
| US-5919789-A | Xanthines and their therapeutic use | DARWIN DISCOVERY LIMITED (GB) | 1999-07-06 | — | — | US | disclosed |
| WO-1998022464-A1 | XANTHINES AND THEIR THERAPEUTIC USE | DARWIN DISCOVERY LIMITED (GB) | 1998-05-28 | — | — | WO | disclosed |