Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | PLAT | P00750 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 2/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | NCOA3 | Q9Y6Q9 | 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 | |
|---|---|---|---|---|
| SCHEMBL5017699 | 0.75 | CHEK1 (0.41) | CHEK1MCL1 | |
| SCHEMBL5017397 | 0.69 | MAOB (0.41) | CA1CA2 | |
| SCHEMBL5017135 | 0.66 | CSNK2A1 (0.40) | CHEK1 | |
| SCHEMBL5024323 | 0.64 | CHEK1 (0.48) | CHEK1 | |
| SCHEMBL7590901 | 0.64 | CYP2A6 (0.50) | CHEK1CA1CA2GPR35MCL1 | |
| SCHEMBL29597014 | 0.64 | CYP2A6 (0.50) | CHEK1CA1CA2GPR35MCL1 | |
| SCHEMBL4291979 | 0.64 | CHEK1 (0.71) | CHEK1TYMSMCL1 | |
| SCHEMBL4292438 | 0.64 | NCOA3 (0.59) | CHEK1NCOA3 | |
| SCHEMBL4297665 | 0.61 | NCOA3 (0.68) | CHEK1PLAUNCOA3 | |
| SCHEMBL20557391 | 0.61 | CHEK1 (0.47) | CHEK1CA1CA2MCL1 |
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-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | disclosed |