Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 8/20 | 0.69 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.69 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.69 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7419943 | 0.87 | KMT2A (0.79) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7418923 | 0.85 | PDE4A (0.76) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL8182729 | 0.82 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL30537074 | 0.82 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL30537073 | 0.82 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL30537071 | 0.81 | PDE4A (0.78) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL30537069 | 0.79 | PDE4A (0.74) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL25307435 | 0.79 | PDE4A (0.71) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7430342 | 0.79 | PDE4A (0.73) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7415581 | 0.79 | KMT2A (0.87) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5821366-A | Xanthines and their therapeutic use | CHIROSCIENCE LIMITED (GB) | 1998-10-13 | — | — | US | claimed |
| EP-0825993-A1 | XANTHINES AND THEIR THERAPEUTIC USE | Chiroscience Limited (GB) | 1998-03-04 | — | — | EP | claimed |
| WO-1996036638-A1 | XANTHINES AND THEIR THERAPEUTIC USE | CHIROSCIENCE LIMITED (GB) | 1996-11-21 | — | — | WO | claimed |
| US-6124288-A | Xanthines and their therapeutic use | DARWIN DISCOVERY, LTD. (GB) | 2000-09-26 | — | — | US | disclosed |
| EP-0825993-A1 | XANTHINES AND THEIR THERAPEUTIC USE | Chiroscience Limited (GB) | 1998-03-04 | — | — | EP | disclosed |
| WO-1996036638-A1 | XANTHINES AND THEIR THERAPEUTIC USE | CHIROSCIENCE LIMITED (GB) | 1996-11-21 | — | — | WO | disclosed |