Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8483161 | 0.75 | ADORA2A (0.32) | ADORA2BADORA3ADORA2A | |
| SCHEMBL8485775 | 0.68 | NPC1 (0.43) | — | |
| SCHEMBL8486289 | 0.64 | KDM4E (0.41) | — | |
| 1-Methylxanthine SCHEMBL12037451 | 0.59 | ADORA2A (0.54) | ADORA2BADORA3ADORA2A | |
| SCHEMBL9240979 | 0.59 | ADORA2A (0.58) | ADORA2BADORA3ADORA2A | |
| Hydrochloric Acid SCHEMBL8345987 | 0.55 | NPSR1 (0.39) | ADORA2BADORA3ADORA2A | |
| SCHEMBL8158055 | 0.54 | ADORA2B (0.35) | ADORA2BADORA3ADORA2A | |
| SCHEMBL5922505 | 0.54 | ADORA2B (0.35) | ADORA2BADORA3ADORA2A | |
| SCHEMBL5134359 | 0.54 | ADORA2A (0.66) | ADORA2BADORA3ADORA2A | |
| SCHEMBL4795379 | 0.53 | NPSR1 (0.37) | ADORA2BADORA3ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5990118-A | NOVEL PURINE COMPOUNDS AND TRIAZOLOPURINE COMPOUNDS WHICH INHIBIT XANTHINE OXIDASE; REMEDIES FOR HYPERURICEMIA, AND AS PREVENTIVE AND THERAPEUTIC AGENTS FOR GOUT | YAMASA CORPORATION (JP) | 1999-11-23 | — | — | US | disclosed |