Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | USP1 | O94782 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708311 | 0.96 | ADORA1 (0.42) | ADORA3ADORA1ADORA2AADORA2BAGTR1 | |
| SCHEMBL9708431 | 0.96 | ADORA1 (0.40) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL9708654 | 0.95 | ADORA3 (0.42) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL9707841 | 0.94 | ADORA3 (0.44) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL9707347 | 0.93 | RAB9A (0.44) | ADORA3ADORA1ADORA2AADORA2BUSP1 | |
| SCHEMBL9708391 | 0.93 | PDE1A (0.44) | USP1 | |
| SCHEMBL9708048 | 0.92 | PDE5A (0.44) | ADORA3ADORA1ADORA2AAGTR1 | |
| SCHEMBL9708106 | 0.92 | PDE5A (0.44) | ADORA3ADORA1ADORA2AAGTR1 | |
| SCHEMBL9707519 | 0.91 | ADORA3 (0.39) | ADORA3ADORA1ADORA2AADORA2BAGTR1 | |
| SCHEMBL9707604 | 0.91 | ADORA1 (0.37) | ADORA3ADORA1ADORA2AADORA2BAGTR1 |
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 |