Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 13/20 | 0.53 |
| ▸ | KDR | P35968 | 2/20 | 0.52 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7702867 | 0.92 | CHEK1 (0.53) | CHEK1KDRCDK1CDK2PARP1 | |
| SCHEMBL7697888 | 0.90 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2LMNA | |
| SCHEMBL7701201 | 0.90 | CYP1A2 (0.49) | CHEK1KDRPARP1CYP1A2CYP2C9 | |
| SCHEMBL7696243 | 0.86 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2ROCK2 | |
| SCHEMBL7702848 | 0.85 | CHEK1 (0.54) | CHEK1KDRCDK1CDK2ROCK2 | |
| SCHEMBL7093397 | 0.85 | CHEK1 (0.54) | CHEK1KDRCDK1CDK2ROCK2 | |
| SCHEMBL7091231 | 0.85 | CHEK1 (0.56) | CHEK1KDRCDK1CDK2ROCK2 | |
| SCHEMBL7701122 | 0.83 | CHEK1 (0.48) | CHEK1KDRCDK1CDK2NAMPT | |
| SCHEMBL7095790 | 0.82 | ALDH1A1 (0.49) | CHEK1KDRPARP1CYP1A2CYP2C9 | |
| SCHEMBL7094928 | 0.81 | KDR (0.64) | CHEK1KDRCDK1CDK2ROCK2 |
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-6462036-B1 | INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |