Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 17/20 | 0.34 |
| ▸ | CTSK | P43235 | 11/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28989398 | 0.80 | CTSS (0.45) | BACE1BACE2ROCK1CTSK | |
| SCHEMBL16064445 | 0.80 | CTSS (0.45) | BACE1BACE2ROCK1CTSK | |
| SCHEMBL30219006 | 0.80 | CTSS (0.45) | BACE1BACE2ROCK1CTSK | |
| SCHEMBL16645067 | 0.73 | CTSC (0.43) | CTSCCTSK | |
| SCHEMBL16064277 | 0.73 | CTSC (0.43) | CTSCCTSK | |
| SCHEMBL22643288 | 0.73 | CTSC (0.43) | CTSCCTSK | |
| SCHEMBL16064245 | 0.73 | CTSC (0.43) | CTSCCTSK | |
| SCHEMBL18643677 | 0.72 | CTSC (0.41) | ROCK1CTSCCTSK | |
| SCHEMBL31758867 | 0.71 | USP30 (0.40) | ROCK1CTSCCTSK | |
| SCHEMBL12068174 | 0.69 | BACE1 (0.48) | BACE1BACE2ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970283-B1 | SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INT (DE) | 2020-11-11 | — | — | EP | disclosed |