Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 3/20 | 0.41 |
| ▸ | CTSC | P53634 | 1/20 | 0.40 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.40 |
| ▸ | VHL | P40337 | 2/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | AVPR1A | P37288 | 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 | |
|---|---|---|---|---|
| SCHEMBL15081657 | 0.88 | CTSC (0.42) | PREPCTSCHTRA1VHLITGB1 | |
| SCHEMBL16622336 | 0.88 | PREP (0.40) | PREPCTSCHTRA1VHLITGB1 | |
| SCHEMBL15081665 | 0.86 | CTSC (0.57) | PREPCTSC | |
| SCHEMBL15083921 | 0.86 | CACNA1B (0.38) | CTSCVHLMAPK1MCL1HDAC1 | |
| SCHEMBL15064893 | 0.86 | PREP (0.44) | PREPCTSCHTRA1ITGB1ITGA4 | |
| SCHEMBL15081660 | 0.86 | PREP (0.44) | PREPHTRA1ITGB1ITGA4MAPK1 | |
| SCHEMBL15064894 | 0.86 | PREP (0.44) | PREPCTSCHTRA1ITGB1ITGA4 | |
| SCHEMBL19187207 | 0.85 | CTSC (0.40) | CTSCHTRA1VHLITGB1ITGA4 | |
| SCHEMBL14822155 | 0.85 | GPR119 (0.44) | PREPCTSCHTRA1ITGB1ITGA4 | |
| SCHEMBL15084103 | 0.84 | HDAC4 (0.41) | PREPHTRA1VHLITGB1ITGA4 |
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 |