Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 2/20 | 0.45 |
| ▸ | PREP | P48147 | 3/20 | 0.39 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | CCKBR | P32239 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15081677 | 0.90 | ALDH1A1 (0.42) | CTSCPREPHTRA1MAPK1GPR119 | |
| SCHEMBL15083939 | 0.88 | CTSC (0.42) | CTSCMAPK1GPR119CCKBRCACNA1B | |
| SCHEMBL15081681 | 0.87 | CTSC (0.61) | CTSCPREP | |
| SCHEMBL16622337 | 0.87 | CTSC (0.45) | CTSCPREPHTRA1MAPK1GPR119 | |
| SCHEMBL16622351 | 0.86 | CTSC (0.44) | CTSCPREPHTRA1MAPK1GPR119 | |
| SCHEMBL16622343 | 0.86 | CTSC (0.47) | CTSCPREPHTRA1MAPK1GPR119 | |
| SCHEMBL16622379 | 0.85 | PREP (0.46) | CTSCPREPHTRA1MAPK1GPR119 | |
| SCHEMBL16622352 | 0.85 | CTSC (0.46) | CTSCPREPHTRA1MAPK1GPR119 | |
| SCHEMBL15084108 | 0.85 | CTSC (0.45) | CTSCPREPHTRA1MAPK1GPR119 | |
| SCHEMBL16622372 | 0.84 | CTSC (0.46) | CTSCPREPHTRA1MAPK1GPR119 |
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 2 patents. 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 |
| 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 |