Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 11/20 | 0.50 |
| ▸ | KDR | P35968 | 4/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7696867 | 0.95 | CHEK1 (0.47) | CHEK1KDRCDK1CDK2KIT | |
| SCHEMBL7696212 | 0.95 | CHEK1 (0.47) | CHEK1KDRCDK1CDK2KIT | |
| Acetic Acid SCHEMBL7696866 | 0.93 | KDR (0.46) | CHEK1KDRCDK1CDK2KIT | |
| SCHEMBL7165696 | 0.88 | CHEK1 (0.49) | CHEK1KDRCDK1CDK2KIT | |
| SCHEMBL7814577 | 0.88 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2KIT | |
| Acetic Acid SCHEMBL7701547 | 0.86 | KDR (0.48) | CHEK1KDRCDK1CDK2KIT | |
| SCHEMBL7701289 | 0.86 | CHEK1 (0.48) | CHEK1KDRCDK1CDK2KIT | |
| SCHEMBL7703602 | 0.86 | CHEK1 (0.48) | CHEK1KDRCDK1CDK2KIT | |
| SCHEMBL7704050 | 0.85 | CHEK1 (0.52) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7698455 | 0.85 | CHEK1 (0.56) | CHEK1KDRCDK1CDK2KIT |
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-1289525-A2 | TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS | Abbott GmbH & Co. KG (DE) | 2003-03-12 | — | — | EP | disclosed |
| 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 |
| WO-2001087846-A2 | TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS | ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) | 2001-11-22 | — | — | WO | disclosed |