Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 12/20 | 0.67 |
| ▸ | ROCK2 | O75116 | 10/20 | 0.67 |
| ▸ | CLK4 | Q9HAZ1 | 8/20 | 0.67 |
| ▸ | GSK3B | P49841 | 7/20 | 0.67 |
| ▸ | PRKG1 | Q13976 | 7/20 | 0.67 |
| ▸ | PKN2 | Q16513 | 7/20 | 0.67 |
| ▸ | RPS6KA5 | O75582 | 6/20 | 0.67 |
| ▸ | GSK3A | P49840 | 6/20 | 0.67 |
| ▸ | PRKACA | P17612 | 6/20 | 0.67 |
| ▸ | PRKX | P51817 | 6/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.67 |
| ▸ | SGK2 | Q9HBY8 | 5/20 | 0.67 |
| ▸ | IRAK1 | P51617 | 4/20 | 0.67 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.67 |
| ▸ | PRKG2 | Q13237 | 6/20 | 0.58 |
| ▸ | AKT1 | P31749 | 5/20 | 0.58 |
| ▸ | PRKCD | Q05655 | 5/20 | 0.58 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.58 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.58 |
| ▸ | CDC42BPA | Q5VT25 | 4/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7372867 | 1.00 | ROCK1 (0.67) | ROCK1ROCK2CLK4GSK3BPRKG1 | |
| SCHEMBL7451101 | 0.91 | CAPN1 (0.63) | ROCK1ROCK2CLK4GSK3BPRKG1 | |
| SCHEMBL40781 | 0.85 | CAPN1 (0.74) | CAPN1CTRC | |
| SCHEMBL7378642 | 0.85 | CAPN1 (0.74) | CAPN1CTRC | |
| SCHEMBL7786901 | 0.84 | CAPN1 (0.56) | ROCK1ROCK2CLK4GSK3BPRKG1 | |
| SCHEMBL7375227 | 0.84 | CAPN1 (0.56) | ROCK1ROCK2CLK4GSK3BPRKG1 | |
| SCHEMBL7791337 | 0.83 | ROCK2 (0.72) | ROCK1ROCK2CLK4GSK3BPRKG1 | |
| SCHEMBL7377541 | 0.83 | ROCK2 (0.72) | ROCK1ROCK2CLK4GSK3BPRKG1 | |
| SCHEMBL7374424 | 0.82 | CAPN1 (0.75) | CAPN1CTRC | |
| SCHEMBL7789383 | 0.82 | CAPN1 (0.75) | CAPN1CTRC |
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 |
|---|---|---|---|---|---|---|---|
| US-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |