Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 10/20 | 0.65 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.65 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL6574622 | 1.00 | ADORA2A (0.65) | ADORA2AADORA1ADORA3ADORA2BCYP2D6 | |
| SCHEMBL6576651 | 0.90 | ADORA1 (0.65) | ADORA2AADORA1ADORA3ADORA2BCYP2D6 | |
| SCHEMBL6575097 | 0.87 | ADORA1 (0.64) | ADORA2AADORA1ADORA3ADORA2BCYP2D6 | |
| SCHEMBL6572783 | 0.86 | ADORA2A (0.61) | ADORA2AADORA1ADORA3ADORA2BCYP2D6 | |
| SCHEMBL6575289 | 0.85 | ADORA2A (0.64) | ADORA2AADORA1ADORA3ADORA2BCYP2D6 | |
| SCHEMBL6572805 | 0.84 | ADORA2A (0.64) | ADORA2AADORA1ADORA3ADORA2BCYP2D6 | |
| SCHEMBL6576725 | 0.82 | ADORA1 (0.54) | ADORA2AADORA1ADORA3ADORA2BCYP2D6 | |
| SCHEMBL6575267 | 0.81 | ADORA1 (0.52) | ADORA2AADORA1ADORA3ADORA2BCYP2D6 | |
| SCHEMBL13454907 | 0.80 | ADORA1 (0.84) | ADORA2AADORA1ADORA3ADORA2BCYP2D6 | |
| SCHEMBL13454923 | 0.80 | ADORA1 (0.84) | ADORA2AADORA1ADORA3ADORA2BCYP2D6 |
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-6677316-B2 | TREATING ISCHEMIA, CARDIOVASCULAR DISORDERS, STROKE, PAIN, NERVOUS SYSTEM DISORDERS OR SLEEP APNEA; ADENOSINE A1 RECEPTOR AGONIST; 2-(3-(TERT-BUTYL)-1,2,4-OXADIAZOL-5-YL)-5-(6-(ISOBUTYLAMINO)-9H-PURIN-9-YL) TETRAHYDROFURAN-3,4-DIOL | SMITHKLINE BEECHAM CORPORATION | 2004-01-13 | — | — | US | claimed |