Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 8/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.52 |
| ▸ | PDE5A | O76074 | 7/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | PCK1 | P35558 | 4/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7393964 | 0.89 | PDE4A (0.54) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL7502502 | 0.84 | PDE4A (0.50) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL7436271 | 0.72 | PDE4A (0.69) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL7026234 | 0.68 | PDE4A (0.70) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL7809025 | 0.68 | PDE4A (0.70) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL7395897 | 0.67 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL9427714 | 0.64 | ADORA2A (0.69) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL7398584 | 0.64 | PDE4A (0.64) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL8102407 | 0.64 | ADORA2B (0.43) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL11705400 | 0.63 | NPC1 (0.74) | ADORA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0550559-A1 | XANTHINES | Beecham Group p.l.c. (GB) | 1993-07-14 | — | — | EP | claimed |
| WO-1992005176-A1 | XANTHINES | BEECHAM GROUP PLC (GB) | 1992-04-02 | — | — | WO | claimed |
| WO-1992005176-A1 | XANTHINES | BEECHAM GROUP PLC (GB) | 1992-04-02 | — | — | WO | disclosed |