Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 11/20 | 0.54 |
| ▸ | KDR | P35968 | 4/20 | 0.53 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | FLT1 | P17948 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7698302 | 0.92 | CHEK1 (0.56) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7091922 | 0.89 | CHEK1 (0.55) | CHEK1KDRHSD17B10 | |
| SCHEMBL7704724 | 0.88 | CHEK1 (0.60) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7697800 | 0.87 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7701530 | 0.83 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7000769 | 0.82 | CHEK1 (0.64) | CHEK1KDRCDK1CDK2NPC1 | |
| Hydrochloric Acid SCHEMBL7089690 | 0.81 | CHEK1 (0.62) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7705309 | 0.81 | KDR (0.69) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7814577 | 0.81 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7094246 | 0.80 | CHEK1 (0.54) | CHEK1KDR |
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-1127051-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | claimed |
| WO-2000027822-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | claimed |
| 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 |