Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.33 |
| ▸ | CDK1 | P06493 | 2/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29601777 | 0.84 | ADORA2B (0.39) | ADORA2BALDH1A1ADORA2APDE4APDE4B | |
| SCHEMBL9391801 | 0.79 | CSNK2A2 (0.44) | ADORA2BALDH1A1ADORA2AADORA1DPP4 | |
| SCHEMBL29601416 | 0.76 | ADORA2B (0.40) | ADORA2BADORA2AADORA1DPP4HSP90AA1 | |
| SCHEMBL2054791 | 0.76 | HSP90AB1 (0.52) | HSP90AA1HSP90AB1 | |
| SCHEMBL6270755 | 0.75 | ADORA2B (0.46) | ADORA2BALDH1A1ADORA2APDE4APDE4B | |
| SCHEMBL170889 | 0.74 | TK1 (0.42) | ADORA2BALDH1A1ADORA2APDE4APDE4B | |
| SCHEMBL4846999 | 0.74 | ADORA2A (0.42) | ADORA2BALDH1A1ADORA2APDE4APDE4B | |
| SCHEMBL6651365 | 0.73 | ADORA2A (0.32) | ADORA2AADORA1 | |
| SCHEMBL5659484 | 0.73 | ADORA2B (0.38) | ADORA2BALDH1A1ADORA2APDE4APDE4B | |
| SCHEMBL7983989 | 0.72 | ADORA2A (0.35) | ALDH1A1ADORA2AADORA1DPP4 |
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-1017394-A1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999002162-A1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1999-01-21 | — | — | WO | disclosed |