Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 4/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16079071 | 0.85 | PREP (0.42) | PREPCHRM2CHRM1CHRM3HTRA1 | |
| SCHEMBL16065007 | 0.84 | CTSC (0.42) | PREP | |
| SCHEMBL21172930 | 0.84 | PREP (0.40) | PREPCHRM2CHRM1CHRM3ELANE | |
| SCHEMBL18828791 | 0.82 | CTSC (0.49) | — | |
| SCHEMBL19155235 | 0.78 | CTSC (0.42) | PREPHTRA1ELANE | |
| SCHEMBL22642885 | 0.78 | CTSC (0.42) | PREPHTRA1ELANE | |
| SCHEMBL19155078 | 0.78 | CTSC (0.42) | PREPHTRA1ELANE | |
| SCHEMBL16065006 | 0.78 | PREP (0.34) | PREPHTRA1ELANEALDH1A1 | |
| SCHEMBL18828792 | 0.76 | HTRA1 (0.33) | PREPHTRA1 | |
| SCHEMBL15081660 | 0.71 | PREP (0.44) | PREPCHRM2CHRM1CHRM3HTRA1 |
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-2970228-B1 | SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INT (DE) | 2017-05-10 | — | — | EP | disclosed |