Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 6/20 | 0.45 |
| ▸ | PREP | P48147 | 3/20 | 0.42 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | MC5R | P33032 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | YAP1 | P46937 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16622350 | 0.91 | CTSC (0.43) | CTSCPREPHTRA1MAPK1NAMPT | |
| SCHEMBL15081647 | 0.91 | CTSC (0.42) | CTSCPREPHTRA1MAPK1CACNA1B | |
| SCHEMBL15081659 | 0.89 | CTSC (0.45) | CTSCPREPHTRA1MAPK1CACNA1B | |
| SCHEMBL16622332 | 0.89 | CTSC (0.45) | CTSCPREPHTRA1MAPK1DPP4 | |
| SCHEMBL16622375 | 0.89 | CTSC (0.45) | CTSCPREPHTRA1MAPK1NAMPT | |
| SCHEMBL15081676 | 0.89 | HTRA1 (0.44) | CTSCPREPHTRA1MAPK1CACNA1B | |
| SCHEMBL14822367 | 0.89 | CTSC (0.45) | CTSCPREPHTRA1MAPK1CACNA1B | |
| SCHEMBL16622345 | 0.88 | CTSC (0.44) | CTSCPREPHTRA1MAPK1KMT2A | |
| SCHEMBL16622374 | 0.88 | CTSC (0.44) | CTSCPREPHTRA1MAPK1KMT2A | |
| SCHEMBL16622349 | 0.88 | CTSC (0.46) | CTSCPREPHTRA1MAPK1NAMPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8999975-B2 | Substituted N- [1-cyano-2- (phenyl) ethyl] -2-azabicyclo [2.2.1] heptane-3-carboxamide inhibitors of cathepsin C | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-04-07 | — | — | US | disclosed |