Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 4/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 10/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | GSR | P00390 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7161615 | 0.91 | NPC1 (0.56) | NPC1CDK1CDK2KDRCHEK1 | |
| Hydrochloric Acid SCHEMBL7704705 | 0.82 | NPC1 (0.54) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7092676 | 0.77 | NPC1 (0.58) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7092678 | 0.77 | NPC1 (0.61) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7093471 | 0.77 | NPC1 (0.58) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7092160 | 0.75 | NPC1 (0.59) | NPC1CDK1CDK2KDRCHEK1 | |
| Hydrochloric Acid SCHEMBL7851409 | 0.75 | NPC1 (0.59) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7164621 | 0.74 | NPC1 (0.55) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7089728 | 0.73 | NPC1 (0.81) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL12567897 | 0.72 | KDR (0.74) | NPC1CDK1CDK2KDRCHEK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1335836-A | Tricyclic pyrazole derivatives | BASF AG (DE) | 2002-02-13 | — | — | CN | 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 |
| CN-1335836-A | Tricyclic pyrazole derivatives | BASF AG (DE) | 2002-02-13 | — | — | CN | disclosed |
| 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 |