Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 5/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.42 |
| ▸ | GSR | P00390 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7092160 | 0.87 | NPC1 (0.59) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7092676 | 0.79 | NPC1 (0.58) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7092678 | 0.79 | NPC1 (0.61) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7093471 | 0.79 | NPC1 (0.58) | NPC1CDK1CDK2KDRCHEK1 | |
| Hydrochloric Acid SCHEMBL7704705 | 0.78 | NPC1 (0.54) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7164621 | 0.76 | NPC1 (0.55) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7089728 | 0.76 | NPC1 (0.81) | NPC1CDK1CDK2KDRCHEK1 | |
| Hydrochloric Acid SCHEMBL7851409 | 0.76 | NPC1 (0.59) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL12567897 | 0.74 | KDR (0.74) | NPC1CDK1CDK2KDRCHEK1 | |
| SCHEMBL7700293 | 0.72 | 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 9 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 |
| 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 |
| CN-1335836-A | Tricyclic pyrazole derivatives | BASF AG (DE) | 2002-02-13 | — | — | CN | 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 |