Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 11/20 | 0.57 |
| ▸ | KDR | P35968 | 4/20 | 0.56 |
| ▸ | KIT | P10721 | 1/20 | 0.55 |
| ▸ | FLT1 | P17948 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7093375 | 0.88 | CHEK1 (0.50) | CHEK1KDRKITFLT1CDK1 | |
| SCHEMBL7705309 | 0.86 | KDR (0.69) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7165696 | 0.85 | CHEK1 (0.49) | CHEK1KDRKITFLT1CDK1 | |
| SCHEMBL7000769 | 0.85 | CHEK1 (0.64) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7696212 | 0.85 | CHEK1 (0.47) | CHEK1KDRKITFLT1CDK1 | |
| SCHEMBL7696867 | 0.85 | CHEK1 (0.47) | CHEK1KDRKITFLT1CDK1 | |
| SCHEMBL7701289 | 0.84 | CHEK1 (0.48) | CHEK1KDRKITFLT1CDK1 | |
| Hydrochloric Acid SCHEMBL7089690 | 0.84 | CHEK1 (0.62) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7697800 | 0.83 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2NPC1 | |
| Acetic Acid SCHEMBL7701547 | 0.83 | KDR (0.48) | CHEK1KDRKITFLT1CDK1 |
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 2 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 | disclosed |
| WO-2000027822-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | disclosed |