Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.55 |
| ▸ | PRKACA | P17612 | 3/20 | 0.55 |
| ▸ | PRKX | P51817 | 3/20 | 0.55 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.55 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.55 |
| ▸ | RPS6KA4 | O75676 | 2/20 | 0.55 |
| ▸ | GSK3B | P49841 | 2/20 | 0.55 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.55 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.55 |
| ▸ | GSK3A | P49840 | 1/20 | 0.55 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.55 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.51 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.51 |
| ▸ | ITGAL | P20701 | 1/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7372990 | 0.80 | CAPN1 (0.65) | ROCK2ROCK1MAPK1PRKACAPRKX | |
| SCHEMBL7787779 | 0.80 | CAPN1 (0.65) | ROCK2ROCK1MAPK1PRKACAPRKX | |
| SCHEMBL28664069 | 0.80 | ROCK2 (0.52) | ROCK2ROCK1MAPK1PRKACAPRKX | |
| SCHEMBL30255079 | 0.80 | ROCK2 (0.60) | ROCK2ROCK1MAPK1PRKACAPRKX | |
| SCHEMBL31622393 | 0.80 | ROCK2 (0.52) | ROCK2ROCK1MAPK1PRKACAPRKX | |
| SCHEMBL25406576 | 0.80 | ROCK2 (0.60) | ROCK2ROCK1MAPK1PRKACAPRKX | |
| SCHEMBL7954435 | 0.79 | EGLN1 (0.63) | ROCK2ROCK1MAPK1PRKACAPRKX | |
| SCHEMBL7954438 | 0.79 | EGLN1 (0.63) | ROCK2ROCK1MAPK1PRKACAPRKX | |
| SCHEMBL14005607 | 0.79 | MAPK1 (0.56) | ROCK2ROCK1MAPK1PRKACAPRKX | |
| SCHEMBL7242740 | 0.79 | CAPN1 (0.57) | ROCK2ROCK1MAPK1PRKACAPRKX |
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 |
|---|---|---|---|---|---|---|---|
| US-6562827-B1 | For the treatment of diseases in which increased calpain activity occurs such as neurodegenerative diseases or neuronal damage are caused by ischemia, trauma or mass hemorrhages | ABBOTT LABORATORIES | 2003-05-13 | — | — | US | disclosed |
| CN-1297441-A | Heterocyclic substituted amides as calpain inhibitors | BASF AG (DE) | 2001-05-30 | — | — | CN | disclosed |