Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | AGTR1 | P30556 | 7/20 | 0.43 |
| ▸ | AGTR2 | P50052 | 6/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.43 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708134 | 0.98 | ADORA1 (0.49) | ADORA1AGTR1AGTR2 | |
| SCHEMBL9708013 | 0.96 | ADORA3 (0.44) | ADORA1AGTR1AGTR2 | |
| SCHEMBL9707867 | 0.96 | ADORA3 (0.44) | ADORA1AGTR1AGTR2 | |
| SCHEMBL9708168 | 0.95 | ADORA1 (0.52) | ADORA1AGTR1AGTR2 | |
| SCHEMBL9707849 | 0.95 | ADORA1 (0.51) | ADORA1AGTR1AGTR2 | |
| SCHEMBL9708555 | 0.94 | ADORA1 (0.47) | ADORA1AGTR1AGTR2SIRT1SIRT3 | |
| SCHEMBL9707729 | 0.94 | AGTR1 (0.45) | ADORA1AGTR1AGTR2 | |
| SCHEMBL9708827 | 0.94 | ADORA1 (0.48) | ADORA1AGTR1AGTR2 | |
| SCHEMBL9708460 | 0.93 | ADORA1 (0.52) | ADORA1AGTR1AGTR2 | |
| SCHEMBL9707576 | 0.93 | TSHR (0.45) | AGTR1AGTR2 |
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 |