Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 6/20 | 0.61 |
| ▸ | CHEK1 | O14757 | 12/20 | 0.58 |
| ▸ | CDK1 | P06493 | 1/20 | 0.57 |
| ▸ | CDK2 | P24941 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7096519 | 0.82 | CHEK1 (0.64) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL7703652 | 0.79 | KDR (0.57) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL7701942 | 0.78 | CHEK1 (0.54) | KDRCHEK1CDK1CDK2ATM | |
| SCHEMBL6967709 | 0.78 | KDR (0.78) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL29819445 | 0.77 | KDR (1.00) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL6968182 | 0.77 | KDR (1.00) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL7696820 | 0.77 | CHEK1 (0.73) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL7165696 | 0.77 | CHEK1 (0.49) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL6998707 | 0.76 | KDR (0.57) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL6996358 | 0.76 | CHEK1 (0.57) | KDRCHEK1CDK1CDK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268437-A1 | INHIBITORS OF PROTEIN KINASES | Knoll GmbH (DE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2002030908-A1 | INHIBITORS OF PROTEIN KINASES | KNOLL GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| US-6297238-B1 | 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-02 | — | — | US | disclosed |