Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 6/20 | 0.42 |
| ▸ | PDE4A | P27815 | 6/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | USP1 | O94782 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708392 | 0.94 | PDE5A (0.42) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9707980 | 0.92 | PDE5A (0.49) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9708215 | 0.90 | ADORA3 (0.42) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9707906 | 0.90 | AGTR1 (0.38) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL9707519 | 0.89 | ADORA3 (0.39) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL9708160 | 0.89 | AGTR1 (0.37) | AGTR1AGTR2USP1 | |
| SCHEMBL9708122 | 0.89 | PDE5A (0.42) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9707645 | 0.89 | PDE5A (0.44) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9708106 | 0.89 | PDE5A (0.44) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9708757 | 0.89 | ADORA3 (0.41) | ADORA3ADORA2AAGTR1AGTR2ADORA2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |