Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 12/20 | 0.49 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7095790 | 0.93 | ALDH1A1 (0.49) | CYP1A2CYP2C9HIF1ACHEK1KDR | |
| SCHEMBL6998221 | 0.91 | NPC1 (0.52) | CYP1A2CYP2C9HIF1ACHEK1KDR | |
| SCHEMBL7700585 | 0.90 | CHEK1 (0.53) | CYP1A2CYP2C9HIF1ACHEK1KDR | |
| SCHEMBL6994516 | 0.87 | KDR (0.51) | CHEK1KDRPDGFRBTP53NPC1 | |
| SCHEMBL7094478 | 0.87 | CHEK1 (0.49) | CYP1A2CYP2C9HIF1ACHEK1KDR | |
| SCHEMBL7088877 | 0.86 | NPC1 (0.52) | CHEK1KDRNPC1NFKB1HTT | |
| SCHEMBL7704064 | 0.85 | KDR (0.51) | CHEK1KDRPDGFRBNPC1RAB9A | |
| SCHEMBL7092465 | 0.84 | KDR (0.56) | CHEK1KDRPDGFRBTP53NPC1 | |
| SCHEMBL7702867 | 0.82 | CHEK1 (0.53) | CHEK1KDRPARP1NPC1MAPT | |
| SCHEMBL6996407 | 0.81 | CHEK1 (0.59) | CYP1A2CHEK1KDRPDGFRB |
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 |