Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 3/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.40 |
| ▸ | PGK1 | P00558 | 1/20 | 0.39 |
| ▸ | PGK2 | P07205 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 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 | |
|---|---|---|---|---|
| SCHEMBL8092301 | 1.00 | ADORA2A (0.47) | ADORA2AADORA3ADORA1ADORA2BCDK1 | |
| SCHEMBL6839820 | 0.91 | ADORA2A (0.53) | ADORA2AADORA3ADORA1ADORA2BCDK1 | |
| SCHEMBL6839786 | 0.89 | ADORA2A (0.46) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL7104786 | 0.87 | ADORA2A (0.47) | ADORA2AADORA3ADORA1ADORA2BCDK1 | |
| SCHEMBL7595823 | 0.84 | ADORA1 (0.48) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL6839047 | 0.82 | ADORA2A (0.45) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL6841752 | 0.80 | ADORA2A (0.51) | ADORA2AADORA3ADORA1ADORA2BCDK1 | |
| SCHEMBL6839112 | 0.79 | ADORA2A (0.50) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL7104998 | 0.79 | ADORA2A (0.47) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL7601339 | 0.79 | ADORA2A (0.56) | ADORA2AADORA3ADORA1ADORA2B |
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 2 patents. 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 |
| EP-1051425-B1 | 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES | GLAXO GROUP LTD (GB) | 2002-10-30 | — | — | EP | disclosed |