Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 13/20 | 0.54 |
| ▸ | KDR | P35968 | 2/20 | 0.53 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SGK1 | O00141 | 1/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.44 |
| ▸ | PRKCG | P05129 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | AKT2 | P31751 | 1/20 | 0.44 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.44 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6998875 | 0.94 | CHEK1 (0.52) | NPC1RAB9ACHEK1KDRCDK1 | |
| SCHEMBL7089369 | 0.92 | CHEK1 (0.56) | NPC1RAB9ACHEK1KDRCDK1 | |
| SCHEMBL7091655 | 0.88 | CHEK1 (0.60) | NPC1RAB9ACHEK1KDRCDK1 | |
| SCHEMBL7163756 | 0.87 | CHEK1 (0.53) | NPC1CHEK1KDRCDK1CDK2 | |
| SCHEMBL7093561 | 0.86 | CHEK1 (0.58) | NPC1RAB9ACHEK1KDRCDK1 | |
| SCHEMBL7000847 | 0.83 | CHEK1 (0.60) | NPC1CHEK1KDRCDK1CDK2 | |
| SCHEMBL6999537 | 0.82 | CHEK1 (0.69) | NPC1CHEK1KDRCDK1CDK2 | |
| SCHEMBL6998448 | 0.81 | CHEK1 (0.56) | NPC1CHEK1KDRCDK1CDK2 | |
| SCHEMBL7701864 | 0.80 | CHEK1 (0.54) | NPC1CHEK1KDRCDK1CDK2 | |
| SCHEMBL6998882 | 0.80 | CHEK1 (0.55) | NPC1CHEK1KDRCDK1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |