Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 18/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30194946 | 1.00 | CTSC (0.60) | CTSCKCNH2CTSSCTSKCTSB | |
| SCHEMBL16940311 | 1.00 | CTSC (0.60) | CTSCKCNH2CTSSCTSKCTSB | |
| SCHEMBL30738891 | 0.94 | CTSC (0.54) | CTSCKCNH2CTSSCTSKCTSB | |
| SCHEMBL31758163 | 0.90 | CTSC (0.54) | CTSCKCNH2CTSSCTSKCTSB | |
| SCHEMBL31757627 | 0.90 | CTSC (0.53) | CTSCKCNH2CTSSCTSK | |
| SCHEMBL31757709 | 0.90 | CTSC (0.54) | CTSCKCNH2 | |
| SCHEMBL30738869 | 0.90 | CTSC (0.54) | CTSCKCNH2CTSSCTSK | |
| SCHEMBL25146341 | 0.90 | CTSC (0.50) | CTSCKCNH2CTSSCTSK | |
| SCHEMBL31757880 | 0.89 | CTSC (0.54) | CTSCKCNH2CTSSCTSK | |
| SCHEMBL31758036 | 0.89 | CTSC (0.52) | CTSCKCNH2CTSSCTSKCTSB |
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-3323814-A1 | (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS | AstraZeneca AB (SE) | 2018-05-23 | — | — | EP | disclosed |