Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CTSC | P53634 | 16/20 | 0.39 |
| ▸ | PREP | P48147 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15081614 | 1.00 | ESR2 (0.40) | ESR2CTSCPREPUSP30 | |
| SCHEMBL16064277 | 0.88 | CTSC (0.43) | CTSC | |
| SCHEMBL16645067 | 0.88 | CTSC (0.43) | CTSC | |
| SCHEMBL16064245 | 0.88 | CTSC (0.43) | CTSC | |
| SCHEMBL22643288 | 0.88 | CTSC (0.43) | CTSC | |
| SCHEMBL16064768 | 0.88 | CTSC (0.37) | CTSCPREP | |
| SCHEMBL16064654 | 0.87 | CTSC (0.38) | CTSCPREP | |
| SCHEMBL16065132 | 0.86 | CTSC (0.39) | CTSCPREP | |
| SCHEMBL15081663 | 0.86 | CTSC (0.53) | CTSCPREP | |
| SCHEMBL15081670 | 0.86 | CTSC (0.53) | CTSCPREP |
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-2758398-B1 | SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INT (DE) | 2017-08-02 | — | — | EP | disclosed |