Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 10/20 | 0.76 |
| ▸ | PDE4B | Q07343 | 10/20 | 0.76 |
| ▸ | PDE4C | Q08493 | 10/20 | 0.76 |
| ▸ | PDE4D | Q08499 | 10/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.76 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7415581 | 0.90 | KMT2A (0.87) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7423811 | 0.86 | KMT2A (1.00) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7419943 | 0.85 | KMT2A (0.79) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7417859 | 0.85 | PDE4A (0.69) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7422218 | 0.83 | PDE4A (0.74) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL8175180 | 0.82 | KMT2A (0.73) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7417257 | 0.82 | KMT2A (0.73) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7422825 | 0.81 | KMT2A (0.72) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7426268 | 0.81 | KMT2A (0.72) | PDE4APDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL7419536 | 0.79 | KMT2A (0.69) | 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 5 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 |
| US-5821366-A | Xanthines and their therapeutic use | CHIROSCIENCE LIMITED (GB) | 1998-10-13 | — | — | US | disclosed |