Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.57 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.57 |
| ▸ | PRKACA | P17612 | 1/20 | 0.57 |
| ▸ | GSK3A | P49840 | 1/20 | 0.57 |
| ▸ | GSK3B | P49841 | 1/20 | 0.57 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.57 |
| ▸ | PRKX | P51817 | 1/20 | 0.57 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.57 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.57 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.57 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.51 |
| ▸ | MME | P08473 | 1/20 | 0.51 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7789884 | 1.00 | ROCK2 (0.57) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 | |
| SCHEMBL7378064 | 0.90 | ROCK2 (0.69) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 | |
| SCHEMBL7782103 | 0.90 | ROCK2 (0.69) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 | |
| SCHEMBL3682311 | 0.87 | CTRB1 (0.73) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 | |
| SCHEMBL5685800 | 0.87 | CTRB1 (0.73) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 | |
| SCHEMBL3682310 | 0.87 | CTRB1 (0.73) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 | |
| SCHEMBL14005615 | 0.86 | HPGDS (0.58) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 | |
| SCHEMBL7372187 | 0.82 | CAPN1 (0.65) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 | |
| SCHEMBL7789809 | 0.82 | CAPN1 (0.65) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 | |
| SCHEMBL7382779 | 0.82 | ALDH1A1 (0.64) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 |
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 3 patents. 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 |
| EP-0944584-A1 | BENZAMIDOALDEHYDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998023581-A1 | BENZAMIDOALDEHYDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-04 | — | — | WO | disclosed |