Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 2/20 | 0.33 |
| ▸ | BRAF | P15056 | 2/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.31 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4823342 | 0.89 | AURKA (0.57) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4824803 | 0.89 | AURKA (0.51) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4826984 | 0.88 | AURKA (0.51) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4821939 | 0.88 | AURKA (0.54) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4829193 | 0.88 | AURKA (0.58) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4827002 | 0.87 | AURKA (0.49) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4829418 | 0.87 | AURKA (0.58) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4824875 | 0.86 | AURKA (0.54) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4829102 | 0.86 | AURKA (0.57) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4829308 | 0.85 | AURKA (0.53) | AURKAAURKBCHEK1SRCCDK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1879894-A1 | AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006108489-A1 | AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-10-19 | — | — | WO | disclosed |