Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 3/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.30 |
| ▸ | GPR17 | Q13304 | 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 | |
|---|---|---|---|---|
| SCHEMBL5015729 | 0.82 | AKR1B1 (0.34) | — | |
| SCHEMBL5024323 | 0.80 | CHEK1 (0.48) | CHEK1 | |
| SCHEMBL5025721 | 0.72 | MAOB (0.37) | — | |
| SCHEMBL5015632 | 0.71 | — | — | |
| SCHEMBL5025797 | 0.70 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5015643 | 0.70 | — | — | |
| SCHEMBL5017759 | 0.70 | MAOB (0.37) | — | |
| SCHEMBL5017699 | 0.69 | CHEK1 (0.41) | CHEK1 | |
| SCHEMBL5024199 | 0.67 | — | — | |
| SCHEMBL5017106 | 0.67 | CHEK1 (0.50) | CHEK1 |
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 4 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 | claimed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | claimed |
| 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 |