Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 2/20 | 0.72 |
| ▸ | KIFC1 | Q9BW19 | 1/20 | 0.48 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.44 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7790007 | 1.00 | CAPN1 (0.72) | CAPN1KIFC1SGMS2ROCK2ROCK1 | |
| SCHEMBL7791328 | 0.84 | CAPN1 (1.00) | CAPN1KIFC1SGMS2MAOBLMNA | |
| SCHEMBL7791324 | 0.84 | CAPN1 (1.00) | CAPN1KIFC1SGMS2MAOBLMNA | |
| SCHEMBL7789810 | 0.83 | PIN1 (0.55) | CAPN1ROCK2ROCK1PIN1MAOB | |
| SCHEMBL7789811 | 0.83 | PIN1 (0.55) | CAPN1ROCK2ROCK1PIN1MAOB | |
| SCHEMBL7782111 | 0.81 | CAPN1 (0.71) | CAPN1ROCK2ROCK1PIN1MAPK1 | |
| SCHEMBL7782112 | 0.81 | CAPN1 (0.71) | CAPN1ROCK2ROCK1PIN1MAPK1 | |
| SCHEMBL7787791 | 0.79 | ROCK2 (0.51) | ROCK2ROCK1L3MBTL1NPC1GAA | |
| SCHEMBL7382832 | 0.79 | ROCK2 (0.51) | ROCK2ROCK1L3MBTL1NPC1GAA | |
| SCHEMBL1388149 | 0.77 | CAPN1 (0.60) | CAPN1NPC1ALDH1A1HTT |
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 |