Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 9/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 8/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21581769 | 1.00 | ADORA2A (0.53) | ADORA2AADORA2BADORA1 | |
| SCHEMBL21581815 | 0.87 | ADORA2A (0.66) | ADORA2AADORA2BADORA1 | |
| SCHEMBL21581768 | 0.82 | ADORA2A (0.64) | ADORA2AADORA2BADORA1 | |
| SCHEMBL29502722 | 0.82 | ADORA2A (0.64) | ADORA2AADORA2BADORA1 | |
| SCHEMBL21583412 | 0.79 | ADORA2A (0.63) | ADORA2AADORA2BADORA1 | |
| SCHEMBL29502744 | 0.77 | ADORA2A (0.59) | ADORA2AADORA2BADORA1 | |
| SCHEMBL21583405 | 0.77 | ADORA2A (0.59) | ADORA2AADORA2BADORA1 | |
| SCHEMBL21583403 | 0.76 | ADORA2A (0.63) | ADORA2AADORA2BADORA1 | |
| SCHEMBL21581774 | 0.75 | ADORA2A (0.83) | ADORA2AADORA2BADORA1 | |
| SCHEMBL29502735 | 0.75 | 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 |