Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 6/20 | 0.56 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | F10 | P00742 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | CTRC | Q99895 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.48 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.48 |
| ▸ | PRKACA | P17612 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.48 |
| ▸ | PRKX | P51817 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.48 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7375227 | 1.00 | CAPN1 (0.56) | CAPN1CTSLCTSBCTSSF2 | |
| SCHEMBL7451101 | 0.85 | CAPN1 (0.63) | CAPN1CTSLCTSBCTSSROCK2 | |
| SCHEMBL40781 | 0.84 | CAPN1 (0.74) | CAPN1CTSBCTRC | |
| SCHEMBL7378642 | 0.84 | CAPN1 (0.74) | CAPN1CTSBCTRC | |
| SCHEMBL7791361 | 0.84 | ROCK1 (0.67) | CAPN1CTSLCTSSCTRCROCK2 | |
| SCHEMBL7372867 | 0.84 | ROCK1 (0.67) | CAPN1CTSLCTSSCTRCROCK2 | |
| SCHEMBL7789383 | 0.82 | CAPN1 (0.75) | CAPN1CTRCKMT2A | |
| SCHEMBL7374424 | 0.82 | CAPN1 (0.75) | CAPN1CTRCKMT2A | |
| SCHEMBL24862890 | 0.80 | CAPN1 (0.56) | CAPN1KMT2A | |
| SCHEMBL7787777 | 0.80 | CAPN1 (0.49) | CAPN1CTRCROCK2RPS6KA5RPS6KA4 |
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 |