Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL17787559 | 0.88 | CHEK1 (0.36) | CHEK1CCNA2CDK2CCNA1ABCB1 | |
| SCHEMBL17787571 | 0.86 | KCNK3 (0.34) | CHEK1CCNA2CDK2CCNA1ABCB1 | |
| SCHEMBL14299172 | 0.86 | CHEK1 (0.37) | CHEK1CCNA2CDK2CCNA1ABCB1 | |
| SCHEMBL2147142 | 0.81 | — | — | |
| SCHEMBL14299173 | 0.72 | EIF2AK4 (0.47) | CHEK1CCNA2CDK2CCNA1GPR119 | |
| SCHEMBL14314600 | 0.71 | CHRM2 (0.39) | CHEK1CCNA2CDK2CCNA1GPR119 | |
| SCHEMBL45055 | 0.70 | PDE10A (0.33) | CCNA2CDK2CCNA1 | |
| SCHEMBL29868 | 0.70 | — | — | |
| SCHEMBL2146905 | 0.70 | — | — | |
| SCHEMBL2680236 | 0.69 | GPR119 (0.48) | CHEK1CCNA2CDK2CCNA1GPR119 |
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-2011090935-A1 | PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-28 | — | — | WO | disclosed |