Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 1.00 |
| ▸ | ADORA2B | P29275 | 13/20 | 1.00 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.83 |
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 | |
|---|---|---|---|---|
| SCHEMBL21581772 | 1.00 | ADORA2A (1.00) | ADORA2AADORA2BADORA1 | |
| SCHEMBL29502749 | 0.91 | ADORA2A (1.00) | ADORA2AADORA2BADORA1 | |
| SCHEMBL21581767 | 0.91 | ADORA2A (1.00) | ADORA2AADORA2BADORA1 | |
| SCHEMBL21583537 | 0.89 | ADORA2A (0.81) | ADORA2AADORA2BADORA1 | |
| SCHEMBL29502764 | 0.89 | ADORA2A (1.00) | ADORA2AADORA2BADORA1 | |
| SCHEMBL21581755 | 0.89 | ADORA2A (1.00) | ADORA2AADORA2BADORA1 | |
| SCHEMBL29502746 | 0.88 | ADORA2A (1.00) | ADORA2AADORA2BADORA1 | |
| SCHEMBL21581775 | 0.88 | ADORA2A (1.00) | ADORA2AADORA2BADORA1 | |
| SCHEMBL21581820 | 0.88 | ADORA2A (0.83) | ADORA2AADORA2BADORA1 | |
| SCHEMBL29502737 | 0.88 | ADORA2A (0.83) | ADORA2AADORA2BADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109963854-B | Heteroaryl [4,3-c ] pyrimidine-5-amine derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-04-12 | — | — | CN | disclosed |