Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.49 |
| ▸ | RPS6KA4 | O75676 | 2/20 | 0.49 |
| ▸ | PRKACA | P17612 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | PRKX | P51817 | 2/20 | 0.49 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.49 |
| ▸ | GSK3A | P49840 | 1/20 | 0.49 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.49 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7382832 | 1.00 | ROCK2 (0.51) | ROCK2ROCK1MAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL7782101 | 0.81 | CAPN1 (0.67) | L3MBTL1ALDH1A1GAAHPGDHTT | |
| SCHEMBL7380711 | 0.81 | CAPN1 (0.67) | L3MBTL1ALDH1A1GAAHPGDHTT | |
| SCHEMBL7381236 | 0.80 | CAPN1 (0.69) | ROCK2ROCK1MAPK1CYP3A4RPS6KA5 | |
| SCHEMBL7789925 | 0.80 | CAPN1 (0.69) | ROCK2ROCK1MAPK1CYP3A4RPS6KA5 | |
| SCHEMBL31611818 | 0.80 | TAS1R3 (0.63) | ROCK2ROCK1MAPK1ALDH1A1CYP3A4 | |
| SCHEMBL14005607 | 0.79 | MAPK1 (0.56) | ROCK2ROCK1MAPK1ALDH1A1CYP3A4 | |
| SCHEMBL7790007 | 0.79 | CAPN1 (0.72) | ROCK2ROCK1MAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL7790004 | 0.79 | CAPN1 (0.72) | ROCK2ROCK1MAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL7381726 | 0.78 | BACE1 (0.58) | ROCK2ROCK1MAPK1CYP3A4HTT |
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 |