Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.51 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.51 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.49 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | TEK | Q02763 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | PI4KA | P42356 | 1/20 | 0.42 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.42 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29842526 | 1.00 | CDK1 (0.52) | CDK1ADORA1ADORA2APIK3CDPIK3R1 | |
| SCHEMBL28739971 | 0.85 | ADORA1 (0.50) | CDK1ADORA1ADORA2APIK3CDPIK3R1 | |
| SCHEMBL6663756 | 0.83 | ADORA1 (0.49) | CDK1ADORA1ADORA2APIK3CDPIK3R1 | |
| SCHEMBL13137092 | 0.81 | ADORA1 (0.46) | CDK1ADORA1ADORA2APIK3CDPIK3R1 | |
| SCHEMBL26977659 | 0.79 | P2RX7 (0.47) | ADORA1ADORA2APIK3CDPIK3R1P2RX7 | |
| SCHEMBL28295500 | 0.77 | MAPK14 (0.49) | CDK1ADORA1ADORA2ANSD3ADORA3 | |
| SCHEMBL31042997 | 0.76 | CDK1 (0.56) | CDK1YTHDC1NSD3 | |
| SCHEMBL27825327 | 0.76 | P2RX7 (0.53) | ADORA1ADORA2AP2RX7PI4KAPI4K2B | |
| SCHEMBL29096112 | 0.74 | ADORA2A (0.67) | ADORA2AP2RX7PI4KAPI4K2BPI4K2A | |
| SCHEMBL22449904 | 0.73 | ADORA2A (0.54) | ADORA1ADORA2AADORA3ADORA2BPI4KA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1444982-A1 | The use of purine derivatives as selective kinase inhibitors | MERCKLE GMBH (DE) | 2004-08-11 | — | — | EP | disclosed |