Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 12/20 | 0.61 |
| ▸ | CHEK1 | O14757 | 6/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.44 |
| ▸ | FLT4 | P35916 | 1/20 | 0.44 |
| ▸ | TEK | Q02763 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7095268 | 0.90 | KDR (0.51) | KDRCHEK1CDK1CDK2GRIN2D | |
| SCHEMBL7092553 | 0.80 | CDK1 (0.71) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL7094609 | 0.76 | NTRK1 (0.43) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL7701582 | 0.75 | KDR (0.70) | KDRCHEK1CDK1CDK2KCNH2 | |
| SCHEMBL7002731 | 0.75 | CHEK1 (0.58) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL7000955 | 0.72 | KDR (0.65) | KDRCHEK1CDK1CDK2KIT | |
| SCHEMBL7696233 | 0.72 | KDR (0.62) | KDRCHEK1CDK1CDK2KCNH2 | |
| SCHEMBL7886079 | 0.72 | KDR (0.52) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL7096350 | 0.72 | CDK1 (0.55) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL7701651 | 0.71 | KDM4E (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |