Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 4/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | GSR | P00390 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7092678 | 0.85 | NPC1 (0.61) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7092676 | 0.85 | NPC1 (0.58) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7164621 | 0.82 | NPC1 (0.55) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7089728 | 0.81 | NPC1 (0.81) | NPC1CDK1CDK2KDRCHEK1 | |
| Hydrochloric Acid SCHEMBL7704705 | 0.81 | NPC1 (0.54) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7092160 | 0.81 | NPC1 (0.59) | NPC1CDK1CDK2KDRCHEK1 | |
| Hydrochloric Acid SCHEMBL7851409 | 0.81 | NPC1 (0.59) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL12567897 | 0.80 | KDR (0.74) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7089411 | 0.79 | NPC1 (0.54) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7700293 | 0.77 | NPC1 (0.54) | 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 7 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 |
| 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 |
| 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 |