Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 11/20 | 0.51 |
| ▸ | CDK1 | P06493 | 2/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.48 |
| ▸ | CDK2 | P24941 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.47 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28685162 | 0.90 | ADORA2A (0.49) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL26225728 | 0.83 | ADORA2A (0.48) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL13233224 | 0.83 | CDK1 (0.69) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL25387263 | 0.76 | ADORA2A (0.43) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL3922885 | 0.76 | CDK1 (0.71) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL28932544 | 0.75 | ADORA2A (0.47) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL23420769 | 0.75 | ALDH1A1 (0.47) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL31296886 | 0.75 | ADORA2A (0.50) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL23420657 | 0.74 | ADORA2A (0.44) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL27517627 | 0.74 | ADORA2A (0.72) | ADORA2AADORA1ADORA2BALDH1A1PI4KA |
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-109311882-B | Adenine derivatives as protein kinase inhibitors | BCI制药公司 | 2022-02-11 | — | — | CN | disclosed |