Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 19/20 | 0.52 |
| ▸ | CTSK | P43235 | 4/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CTSH | P09668 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL15081636 | 0.92 | CTSC (0.54) | CTSCCTSKCTSSCYP1A2CYP3A4 | |
| SCHEMBL19187226 | 0.90 | CTSC (0.59) | CTSCCTSK | |
| SCHEMBL19186963 | 0.89 | CTSC (0.58) | CTSCCTSK | |
| SCHEMBL14821841 | 0.89 | CTSC (0.57) | CTSCCTSK | |
| SCHEMBL14822140 | 0.89 | CTSC (0.56) | CTSCCTSK | |
| SCHEMBL19186767 | 0.89 | CTSC (0.57) | CTSCCTSK | |
| SCHEMBL14822154 | 0.88 | CTSC (0.43) | CTSCCTSK | |
| SCHEMBL19186686 | 0.88 | CTSC (0.57) | CTSCCTSK | |
| SCHEMBL14821972 | 0.87 | CTSC (0.57) | CTSCCTSK | |
| SCHEMBL19187220 | 0.87 | CTSC (0.59) | CTSC |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013041497-A1 | SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-03-28 | — | — | WO | disclosed |