Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ADAMTS7 | Q9UKP4 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL13619962 | 0.83 | FEN1 (0.35) | AURKAAURKBPDE10AFEN1KMT2A | |
| SCHEMBL4253012 | 0.81 | CASP3 (0.35) | AURKAAURKBFEN1 | |
| SCHEMBL4253448 | 0.80 | JAK1 (0.39) | AURKAAURKBPDE10AFEN1KMT2A | |
| SCHEMBL8214047 | 0.78 | ALDH1A1 (0.44) | KMT2ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL4254759 | 0.77 | BACE1 (0.32) | AURKAAURKBPDE10AJAK1TYK2 | |
| SCHEMBL8220918 | 0.76 | OPRL1 (0.35) | KMT2AALDH1A1RAB9A | |
| SCHEMBL8221577 | 0.76 | TP53 (0.38) | KMT2ASMN1; SMN2MAPT | |
| SCHEMBL4253016 | 0.71 | AURKA (0.34) | AURKAAURKBPDE10AFEN1GRIN1 | |
| SCHEMBL4254764 | 0.68 | GAA (0.32) | AURKAAURKBSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL4250483 | 0.66 | CASP3 (0.36) | FEN1GRIN1GRIN2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008016239-A1 | CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD | LG LIFE SCIENCES LTD. (KR) | 2008-02-07 | — | — | WO | disclosed |