Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 19/20 | 0.61 |
| ▸ | CTSK | P43235 | 3/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14822232 | 0.76 | CTSC (1.00) | CTSCCTSK | |
| SCHEMBL15084035 | 0.76 | CTSC (0.74) | CTSCCTSK | |
| SCHEMBL19188068 | 0.72 | CTSC (0.60) | CTSCCTSK | |
| SCHEMBL14023992 | 0.66 | NOTUM (0.51) | CTSCPTGS2 | |
| SCHEMBL16064718 | 0.65 | CTSC (1.00) | CTSCCTSK | |
| SCHEMBL16622360 | 0.63 | CTSC (1.00) | CTSC | |
| SCHEMBL19187233 | 0.63 | CTSC (1.00) | CTSC | |
| SCHEMBL15084102 | 0.62 | CTSC (0.74) | CTSCCTSK | |
| SCHEMBL14821967 | 0.62 | CTSC (1.00) | CTSCCTSK | |
| SCHEMBL15084138 | 0.61 | CTSC (0.72) | CTSCCTSK |
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 |