Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 4/20 | 0.51 |
| ▸ | CDK7 | P50613 | 3/20 | 0.48 |
| ▸ | KDR | P35968 | 12/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | EP300 | Q09472 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4592939 | 0.86 | CHEK1 (0.53) | CHEK1CDK7KDR | |
| SCHEMBL4587556 | 0.81 | KDR (0.59) | CHEK1KDRKDM1A | |
| SCHEMBL4593791 | 0.79 | KDR (0.46) | KDR | |
| SCHEMBL4593789 | 0.76 | KDR (0.43) | CHEK1KDR | |
| SCHEMBL14239621 | 0.74 | KDR (0.59) | CHEK1CDK7KDR | |
| SCHEMBL14240412 | 0.74 | KDR (0.58) | CHEK1CDK7KDR | |
| Hydrochloric Acid SCHEMBL15641179 | 0.74 | KDR (0.58) | CHEK1CDK7KDR | |
| SCHEMBL4586194 | 0.73 | FLT3 (0.50) | CHEK1CDK7KDR | |
| Hydrochloric Acid SCHEMBL15641322 | 0.73 | KDR (0.57) | CHEK1CDK7KDR | |
| SCHEMBL14240501 | 0.70 | CHEK1 (0.54) | CHEK1CDK7KDR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1558609-A4 | KINASE INHIBITORS | MERCK & CO INC (US) | 2008-05-28 | — | — | EP | claimed |
| EP-1558609-A2 | KINASE INHIBITORS | Merck & Co., Inc. (US) | 2005-08-03 | — | — | EP | claimed |
| WO-2004041164-A2 | KINASE INHIBITORS | MERCK & CO., INC. (US) | 2004-05-21 | — | — | WO | claimed |
| EP-1558609-A4 | KINASE INHIBITORS | MERCK & CO INC (US) | 2008-05-28 | — | — | EP | disclosed |
| EP-1558609-A2 | KINASE INHIBITORS | Merck & Co., Inc. (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004041164-A2 | KINASE INHIBITORS | MERCK & CO., INC. (US) | 2004-05-21 | — | — | WO | disclosed |