Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6576785 | 1.00 | ADORA2A (0.66) | ADORA2AADORA3ADORA1ADORA2BMEN1 | |
| SCHEMBL6573936 | 0.93 | ADORA2A (0.69) | ADORA2AADORA3ADORA1ADORA2BMEN1 | |
| SCHEMBL6572752 | 0.89 | ADORA2A (0.51) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL6576982 | 0.88 | ADORA2A (0.64) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL6575216 | 0.86 | ADORA3 (0.59) | ADORA2AADORA3ADORA1ADORA2BMEN1 | |
| SCHEMBL3914182 | 0.84 | ADORA3 (0.58) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL3914192 | 0.84 | ADORA3 (0.58) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL8090571 | 0.84 | ADORA3 (0.58) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL6574586 | 0.82 | ADORA3 (0.52) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL6575072 | 0.81 | ADORA3 (0.54) | ADORA2AADORA3ADORA1ADORA2BMEN1 |
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 |