Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 4/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 4/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | SLC33A1 | O00400 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9708465 | 0.90 | AGTR1 (0.42) | ADORA2AADORA2BADORA1ADORA3AGTR1 | |
| SCHEMBL9707357 | 0.90 | ADORA2A (0.41) | ADORA2AADORA2BADORA1ADORA3AGTR1 | |
| SCHEMBL9708298 | 0.89 | ADORA2B (0.40) | ADORA2AADORA2BADORA1ADORA3AGTR1 | |
| SCHEMBL9707960 | 0.89 | AGTR1 (0.44) | ADORA2AADORA2BADORA1ADORA3AGTR1 | |
| SCHEMBL9707751 | 0.88 | ADORA3 (0.40) | ADORA2AADORA2BADORA1ADORA3AGTR1 | |
| SCHEMBL9708571 | 0.87 | AGTR1 (0.50) | AGTR1AGTR2PPARG | |
| SCHEMBL9708605 | 0.87 | ADORA2B (0.42) | ADORA2AADORA2BADORA1ADORA3AGTR1 | |
| SCHEMBL9708489 | 0.87 | AGTR1 (0.41) | ADORA2AADORA2BADORA1ADORA3AGTR1 | |
| SCHEMBL9708773 | 0.87 | AGTR1 (0.48) | AGTR1AGTR2PPARG | |
| SCHEMBL9708645 | 0.87 | ALDH1A1 (0.42) | ADORA3AGTR1AGTR2PDE5APDE4A |
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 |