Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13247891 | 0.85 | ADORA2A (0.55) | ADORA2BADORA1ADORA2APDE4APDE4B | |
| SCHEMBL3235022 | 0.81 | ADORA2B (0.49) | ADORA2BADORA1ADORA2APDE4APDE4B | |
| SCHEMBL13247878 | 0.79 | ADORA2B (0.57) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL3119443 | 0.77 | SIRT1 (0.54) | ADORA2BADORA1ADORA2APDE4APDE4B | |
| SCHEMBL13247867 | 0.77 | ADORA2B (0.42) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL3118540 | 0.76 | ADORA2B (0.49) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL13247661 | 0.76 | ADORA2B (0.49) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL3118882 | 0.76 | PDGFRA (0.46) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL3115593 | 0.76 | ADORA2B (0.42) | ADORA2BADORA1ADORA2AADORA3KMT2A | |
| SCHEMBL13247926 | 0.76 | ADORA2B (0.53) | ADORA2BADORA1ADORA2APDE4APDE4B |
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-2007017262-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-02-15 | — | — | WO | disclosed |