Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 13/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | KHK | P50053 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | PAK4 | O96013 | 2/20 | 0.37 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11970743 | 0.85 | HRH4 (0.37) | IRAK4HRH4KHKPAK4PIKFYVE | |
| SCHEMBL11970955 | 0.82 | IRAK4 (0.46) | IRAK4HRH4DAPK3CSNK1A1LIMK1 | |
| SCHEMBL12525069 | 0.80 | TDP1 (0.38) | IRAK4PIM3CHEK1AURKADAPK3 | |
| SCHEMBL12525017 | 0.76 | PAK4 (0.59) | IRAK4PIM3KHKPAK4PIKFYVE | |
| SCHEMBL11970662 | 0.74 | IRAK4 (0.42) | IRAK4KHKPAK4PIKFYVE | |
| SCHEMBL11970798 | 0.71 | IRAK4 (0.42) | IRAK4KHKPAK4PIKFYVE | |
| SCHEMBL22126706 | 0.71 | KHK (0.61) | IRAK4PIM3KHK | |
| SCHEMBL27532766 | 0.70 | IRAK4 (0.41) | IRAK4PIM3KHK | |
| SCHEMBL8434365 | 0.69 | MAPT (0.52) | IRAK4 | |
| SCHEMBL9926875 | 0.68 | RAB9A (0.57) | IRAK4PIM3KHK |
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-2012123522-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |