Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.32 |
| ▸ | CDK1 | P06493 | 2/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.32 |
| ▸ | IARS1 | P41252 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13713097 | 0.91 | ADORA2A (0.47) | ADORA2AADORA3ADORA1IARS1 | |
| SCHEMBL13713048 | 0.89 | ADORA2A (0.49) | ADORA2AADORA3ADORA1IARS1 | |
| SCHEMBL12374999 | 0.88 | ADORA2A (0.59) | ADORA2AADORA3ADORA1IARS1 | |
| SCHEMBL13713096 | 0.85 | ADORA2A (0.50) | ADORA2AADORA3ADORA1IARS1 | |
| SCHEMBL12153399 | 0.84 | ADORA2A (0.47) | ADORA2AADORA3ADORA1IARS1 | |
| SCHEMBL14947643 | 0.83 | ADORA2A (0.59) | ADORA2AADORA3ADORA1IARS1 | |
| SCHEMBL12374825 | 0.82 | ADORA2A (0.51) | ADORA2AADORA3ADORA1IARS1 | |
| SCHEMBL13713051 | 0.81 | ADORA2A (0.51) | ADORA2AADORA3ADORA1CCNB2CDK1 | |
| SCHEMBL13713094 | 0.81 | ADORA2A (0.46) | ADORA2AADORA3ADORA1 | |
| SCHEMBL13626210 | 0.81 | ADORA2A (0.45) | ADORA2AADORA3ADORA1CCNB2CDK1 |
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-7589076-B2 | Substituted aryl piperidinylalkynyladenosines as A2AR agonists | PGX HEALTH, LLC (US) | 2009-09-15 | — | — | US | disclosed |