Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.39 |
| ▸ | MBOAT4 | Q96T53 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.33 |
| ▸ | CDK2 | P24941 | 3/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11931211 | 0.89 | HRH4 (0.41) | MBOAT4CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL14545940 | 0.86 | SMPD3 (0.40) | SMPD3MBOAT4CHEK1CCNA2CDK2 | |
| SCHEMBL14539667 | 0.85 | SMPD3 (0.41) | SMPD3MBOAT4CHEK1CCNA2CDK2 | |
| SCHEMBL14539665 | 0.79 | CHEK1 (0.43) | SMPD3CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL11930843 | 0.73 | HRH4 (0.38) | CHEK1CCNA2CDK2CCNA1ABL1 | |
| SCHEMBL11930848 | 0.73 | HRH4 (0.38) | CHEK1CCNA2CDK2CCNA1ABL1 | |
| SCHEMBL11931290 | 0.73 | AKT1 (0.37) | MBOAT4CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL14545857 | 0.72 | HRH4 (0.36) | CDK2HRH2HRH1KCNH2HRH4 | |
| SCHEMBL11930847 | 0.72 | ABL1 (0.38) | CHEK1CCNA2CDK2CCNA1ABL1 | |
| SCHEMBL11930846 | 0.72 | ABL1 (0.38) | CHEK1CCNA2CDK2CCNA1ABL1 |
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-2007041712-A1 | PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS | SCHERING CORPORATION (US) | 2007-04-12 | — | — | WO | disclosed |