Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 8/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 8/20 | 0.42 |
| ▸ | 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 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9707920 | 0.98 | AGTR1 (0.43) | AGTR1AGTR2PDE5APDE4APDE4B | |
| SCHEMBL9707865 | 0.96 | AGTR1 (0.48) | AGTR1AGTR2 | |
| SCHEMBL9708807 | 0.94 | PDE5A (0.43) | AGTR1AGTR2PDE5APDE4APDE4B | |
| SCHEMBL9708085 | 0.94 | AGTR1 (0.48) | AGTR1AGTR2 | |
| SCHEMBL9707615 | 0.94 | AGTR1 (0.45) | AGTR1AGTR2PDE5APDE4APDE4B | |
| SCHEMBL9708127 | 0.93 | AGTR1 (0.46) | AGTR1AGTR2PDE5APDE4APDE4B | |
| SCHEMBL9707582 | 0.93 | PDE5A (0.48) | AGTR1AGTR2PDE5APDE4APDE4B | |
| SCHEMBL9708893 | 0.92 | PDE5A (0.44) | AGTR1AGTR2PDE5APDE4APDE4B | |
| SCHEMBL9708618 | 0.92 | AGTR1 (0.43) | AGTR1AGTR2ADORA3 | |
| SCHEMBL9707903 | 0.92 | AGTR1 (0.43) | AGTR1AGTR2ADORA3 |
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 |