Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.40 |
| ▸ | CDK2 | P24941 | 5/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL15146129 | 0.88 | ABL1 (0.38) | ADORA2AABL1KDRCHEK1CCNA2 | |
| SCHEMBL11930845 | 0.88 | CHEK1 (0.45) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL11930849 | 0.87 | CHEK1 (0.43) | ABL1KDRCHEK1CCNA2CDK2 | |
| SCHEMBL14539517 | 0.85 | KDR (0.38) | ADORA2AABL1KDRCHEK1CCNA2 | |
| SCHEMBL13617800 | 0.85 | ABL1 (0.38) | ADORA2AABL1KDRCHEK1CCNA2 | |
| SCHEMBL11930846 | 0.81 | ABL1 (0.38) | ABL1KDRCHEK1CCNA2CDK2 | |
| SCHEMBL11930847 | 0.81 | ABL1 (0.38) | ABL1KDRCHEK1CCNA2CDK2 | |
| SCHEMBL13845543 | 0.77 | ALDH1A1 (0.38) | ADORA2ACHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL15393818 | 0.75 | CHEK1 (0.39) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL11930804 | 0.74 | CHEK1 (0.35) | ABL1KDRCHEK1CCNA2CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007044449-A2 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORPORATION (US) | 2007-04-19 | — | — | WO | disclosed |