Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 10/20 | 0.45 |
| ▸ | CTSB | P07858 | 5/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.42 |
| ▸ | GSK3B | P49841 | 3/20 | 0.42 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.42 |
| ▸ | RPS6KA4 | O75676 | 2/20 | 0.42 |
| ▸ | PRKACA | P17612 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | PRKX | P51817 | 2/20 | 0.42 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.39 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7782166 | 0.88 | CAPN1 (0.58) | CAPN1CTSBCTSLF10CTSS | |
| SCHEMBL7790079 | 0.83 | ROCK2 (0.43) | CAPN1CTSBROCK2ROCK1GSK3B | |
| SCHEMBL7782210 | 0.81 | DYRK1A (0.47) | CAPN1CTSBROCK2ROCK1GSK3B | |
| SCHEMBL7782141 | 0.80 | HPGDS (0.47) | CTSLROCK2ROCK1GSK3BRPS6KA5 | |
| SCHEMBL7782209 | 0.78 | CAPN1 (0.53) | CAPN1CTSBCTSLROCK2ROCK1 | |
| SCHEMBL7782200 | 0.78 | CAPN1 (0.53) | CAPN1CTSBCTSLROCK2ROCK1 | |
| SCHEMBL7789971 | 0.76 | DYRK1A (0.44) | ROCK2ROCK1GSK3BRPS6KA5RPS6KA4 | |
| SCHEMBL7791345 | 0.75 | CAPN1 (0.70) | CAPN1CTSBCTSLROCK2ROCK1 | |
| SCHEMBL7314496 | 0.74 | PIN1 (0.48) | ROCK2ROCK1GSK3BRPS6KA5RPS6KA4 | |
| SCHEMBL7787042 | 0.74 | DYRK1A (0.47) | CAPN1CTSBROCK2ROCK1GSK3B |
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 |