Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 4/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.52 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.52 |
| ▸ | RPS6KA4 | O75676 | 2/20 | 0.52 |
| ▸ | PRKACA | P17612 | 2/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.52 |
| ▸ | PRKX | P51817 | 2/20 | 0.52 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.52 |
| ▸ | GSK3A | P49840 | 1/20 | 0.52 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.52 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.52 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.52 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.51 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.48 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
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 | 1.00 | CAPN1 (0.65) | CAPN1MAPK1CYP3A4ROCK2ROCK1 | |
| SCHEMBL7782112 | 0.88 | CAPN1 (0.71) | CAPN1MAPK1CYP3A4ROCK2ROCK1 | |
| SCHEMBL7782111 | 0.88 | CAPN1 (0.71) | CAPN1MAPK1CYP3A4ROCK2ROCK1 | |
| SCHEMBL7789809 | 0.83 | CAPN1 (0.65) | CAPN1MAPK1CYP3A4ROCK2ROCK1 | |
| SCHEMBL7372187 | 0.83 | CAPN1 (0.65) | CAPN1MAPK1CYP3A4ROCK2ROCK1 | |
| SCHEMBL7789925 | 0.83 | CAPN1 (0.69) | CAPN1MAPK1CYP3A4ROCK2ROCK1 | |
| SCHEMBL7381236 | 0.83 | CAPN1 (0.69) | CAPN1MAPK1CYP3A4ROCK2ROCK1 | |
| SCHEMBL14005607 | 0.82 | MAPK1 (0.56) | MAPK1CYP3A4ROCK2ROCK1RPS6KA5 | |
| SCHEMBL7787024 | 0.81 | BACE1 (0.58) | CAPN1MAPK1CYP3A4ROCK2ROCK1 | |
| SCHEMBL7383027 | 0.81 | MAPK1 (0.55) | MAPK1CYP3A4ROCK2ROCK1RPS6KA5 |
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 |