Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 15/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22711545 | 1.00 | CTSC (0.54) | CTSCKCNH2IDO1 | |
| SCHEMBL21985824 | 0.86 | CTSC (0.52) | CTSCKCNH2 | |
| SCHEMBL30538029 | 0.86 | CTSC (0.52) | CTSCKCNH2 | |
| SCHEMBL30738968 | 0.86 | CTSC (0.52) | CTSCKCNH2 | |
| SCHEMBL16932293 | 0.86 | CTSC (0.52) | CTSCKCNH2 | |
| Hydrochloric Acid SCHEMBL30738866 | 0.85 | CTSC (0.51) | CTSCKCNH2 | |
| SCHEMBL31758753 | 0.84 | CTSC (0.47) | CTSCKCNH2 | |
| SCHEMBL30738957 | 0.83 | CTSC (0.46) | CTSCKCNH2 | |
| SCHEMBL31757676 | 0.82 | SIGMAR1 (0.48) | CTSCKCNH2 | |
| SCHEMBL24973053 | 0.82 | CTSC (0.49) | CTSCKCNH2 |
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-3744714-A1 | (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS | Astrazeneca AB (SE) | 2020-12-02 | — | — | EP | disclosed |