Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.47 |
| ▸ | STAT6 | P42226 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP4 | P49662 | 1/20 | 0.41 |
| ▸ | CASP5 | P51878 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP9 | P55211 | 1/20 | 0.41 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.41 |
| ▸ | CASP10 | Q92851 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | PREP | P48147 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8286865 | 0.97 | CCR1 (0.46) | CCR1STAT6ALDH1A1HSD11B1ELANE | |
| SCHEMBL12031803 | 0.88 | CCR1 (0.55) | CCR1STAT6ELANE | |
| SCHEMBL12031887 | 0.87 | CCR1 (0.43) | CCR1STAT6ELANECASP1CASP4 | |
| SCHEMBL8288841 | 0.87 | CCR1 (0.43) | CCR1STAT6ELANECASP1CASP4 | |
| SCHEMBL8289016 | 0.87 | CCR1 (0.49) | CCR1STAT6ELANECASP1CASP4 | |
| SCHEMBL8288027 | 0.87 | CASP1 (0.41) | CCR1STAT6HSD11B1ELANECASP1 | |
| SCHEMBL8288902 | 0.86 | TAAR1 (0.49) | CCR1ALDH1A1HSD11B1P2RX7PREP | |
| SCHEMBL12031358 | 0.86 | CASP1 (0.44) | CCR1STAT6HSD11B1ELANECASP1 | |
| SCHEMBL8288021 | 0.86 | STAT6 (0.41) | CCR1STAT6HSD11B1CASP1CASP4 | |
| SCHEMBL8288823 | 0.85 | STAT6 (0.45) | CCR1STAT6ELANECASP1CASP4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2399916-B1 | Process and intermediates for the preparation of aspartic acetal caspase ihnhibitors | VERTEX PHARMA (US) | 2014-12-10 | — | — | EP | disclosed |
| EP-2399916-A1 | Process and intermediates for the preparation of aspartic acetal caspase ihnhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-28 | — | — | EP | disclosed |
| EP-2270004-A1 | Caspase inhibitors and uses thereof | Vertex Pharmceuticals Incorporated (US) | 2011-01-05 | — | — | EP | disclosed |