Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 5/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | CHUK | O15111 | 3/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | TTK | P33981 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | MELK | Q14680 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12192620 | 0.84 | IKBKB (0.51) | IKBKBROCK2ROCK1CHUKMELK | |
| SCHEMBL1706006 | 0.84 | IKBKB (0.37) | IKBKBROCK2ROCK1CHUK | |
| SCHEMBL1706007 | 0.84 | IKBKB (0.37) | IKBKBROCK2ROCK1CHUK | |
| SCHEMBL13686761 | 0.81 | IKBKB (0.40) | IKBKBROCK2ROCK1CHUKIGF1R | |
| SCHEMBL12192784 | 0.76 | IKBKB (0.50) | IKBKBROCK2ROCK1CHUKMELK | |
| Trifluoroacetic Acid SCHEMBL2496666 | 0.75 | IKBKB (0.43) | IKBKBROCK1CHUK | |
| SCHEMBL13686654 | 0.73 | LCK (0.43) | IKBKBCHUKIGF1RTTKDYRK1B | |
| SCHEMBL12192917 | 0.71 | IKBKB (0.60) | IKBKBROCK2ROCK1CHUKIGF1R | |
| SCHEMBL15784007 | 0.71 | ATR (0.45) | IKBKBMELK | |
| SCHEMBL13686682 | 0.70 | IKBKB (0.54) | IKBKBROCK1CHUK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1899322-B1 | ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE | SANOFI AVENTIS (FR) | 2009-09-02 | — | — | EP | disclosed |