Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 15/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 12/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4218355 | 1.00 | ADORA2A (0.56) | ADORA2AADORA3ADORA1ADORA2B | |
| Trifluoroacetic Acid SCHEMBL242570 | 1.00 | ADORA2A (0.56) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL2888630 | 0.93 | ADORA3 (0.58) | ADORA2AADORA3ADORA1ADORA2B | |
| Hydrochloric Acid SCHEMBL241332 | 0.92 | ADORA3 (0.57) | ADORA2AADORA3ADORA1ADORA2B | |
| Hydrochloric Acid SCHEMBL1402131 | 0.92 | ADORA3 (0.57) | ADORA2AADORA3ADORA1ADORA2B | |
| Hydrochloric Acid SCHEMBL1402127 | 0.92 | ADORA3 (0.57) | ADORA2AADORA3ADORA1ADORA2B | |
| Hydrochloric Acid SCHEMBL293315 | 0.92 | ADORA3 (0.57) | ADORA2AADORA3ADORA1ADORA2B | |
| Hydrochloric Acid SCHEMBL242624 | 0.92 | ADORA3 (0.57) | ADORA2AADORA3ADORA1ADORA2B | |
| Hydrochloric Acid SCHEMBL293316 | 0.92 | ADORA3 (0.57) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL242571 | 0.88 | ADORA3 (0.53) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2013211-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | Novartis AG (CH) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007121920-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |