Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 3/20 | 0.46 |
| ▸ | CTSC | P53634 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
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 | 0.91 | ALDH1A1 (0.42) | PREPCTSCGPR119MAPK1HTRA1 | |
| SCHEMBL15084108 | 0.90 | CTSC (0.45) | PREPCTSCGPR119MAPK1HTRA1 | |
| SCHEMBL16622351 | 0.88 | CTSC (0.44) | PREPCTSCGPR119MAPK1HTRA1 | |
| SCHEMBL16622337 | 0.88 | CTSC (0.45) | PREPCTSCGPR119MAPK1HTRA1 | |
| SCHEMBL16622340 | 0.87 | CTSC (0.60) | PREPCTSC | |
| SCHEMBL15083927 | 0.87 | CTSC (0.40) | CTSCGPR119MAPK1SMN1; SMN2MEN1 | |
| SCHEMBL14822150 | 0.85 | CTSC (0.45) | PREPCTSCGPR119MAPK1HTRA1 | |
| SCHEMBL16622372 | 0.85 | CTSC (0.46) | PREPCTSCGPR119MAPK1HTRA1 | |
| SCHEMBL15081660 | 0.84 | PREP (0.44) | PREPMAPK1HTRA1 | |
| SCHEMBL15064894 | 0.84 | PREP (0.44) | PREPCTSCMAPK1HTRA1 |
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 |