Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 14/20 | 0.56 |
| ▸ | KDR | P35968 | 2/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7701166 | 0.85 | CHEK1 (0.53) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7701963 | 0.84 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7702231 | 0.84 | CHEK1 (0.51) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7705309 | 0.82 | KDR (0.69) | CHEK1KDRCDK1CDK2ROCK2 | |
| SCHEMBL7698769 | 0.82 | KDR (0.58) | CHEK1KDRCDK1CDK2ROCK2 | |
| SCHEMBL7702752 | 0.82 | CHEK1 (0.64) | CHEK1KDRCDK1CDK2ROCK2 | |
| SCHEMBL7000769 | 0.82 | CHEK1 (0.64) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7094049 | 0.81 | CHEK1 (0.60) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7704724 | 0.81 | CHEK1 (0.60) | CHEK1KDRCDK1CDK2NPC1 | |
| Hydrochloric Acid SCHEMBL7089690 | 0.81 | CHEK1 (0.62) | CHEK1KDRCDK1CDK2NPC1 |
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 |