Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 10/20 | 0.44 |
| ▸ | PGK1 | P00558 | 3/20 | 0.41 |
| ▸ | PGK2 | P07205 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6839818 | 0.97 | ADORA2A (0.46) | ADORA2APGK1PGK2ADORA3ADORA1 | |
| Formic Acid SCHEMBL6839784 | 0.88 | ADORA2A (0.48) | ADORA2AADORA3ADORA1ADORA2B | |
| Formic Acid SCHEMBL7595821 | 0.87 | ADORA2A (0.44) | ADORA2AADORA1ADORA2B | |
| Formic Acid SCHEMBL7104783 | 0.85 | ADORA2A (0.45) | ADORA2APGK1PGK2ADORA3ADORA1 | |
| Formic Acid SCHEMBL6839712 | 0.84 | ADORA3 (0.43) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL6839241 | 0.84 | ADORA2A (0.49) | ADORA2APGK1PGK2ADORA3ADORA1 | |
| SCHEMBL6841624 | 0.84 | ADORA2A (0.43) | ADORA2APGK1PGK2ADORA1ADORA2B | |
| SCHEMBL6841745 | 0.83 | ADORA3 (0.46) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL7103493 | 0.82 | ADORA2A (0.47) | ADORA2APGK1PGK2ADORA3ADORA1 | |
| SCHEMBL6835095 | 0.81 | ADORA3 (0.44) | ADORA2APGK1PGK2ADORA3ADORA1 |
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-6762170-B1 | ANTIINFLAMMATORY AGENTS INHIBIT LEUKOCYTE RECRUITMENT AND ACTIVATION AND ARE AGONISTS OF THE ADENOSINE 2A RECEPTOR; PENDANT ISOXAZOLE; REACTING A 2,6-DIAMINOPURINE WITH A 2-(3-SUBSTITUTED ISOXAZOL-5-YL)TETRAHYDROFURAN-3,4-DIOL | SMITHKLINEBEECHAM CORPORATION | 2004-07-13 | — | — | US | disclosed |