Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 3/20 | 0.42 |
| ▸ | MMP1 | P03956 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GPR132 | Q9UNW8 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2344921 | 0.91 | GPR132 (0.42) | ACEMMP1MMP9MMP13ADAM17 | |
| SCHEMBL7908175 | 0.87 | ACE (0.44) | ACEMMP1MMP9MMP13ADAM17 | |
| SCHEMBL15062926 | 0.83 | MMP1 (0.43) | ACEMMP1MMP9MMP13ADAM17 | |
| SCHEMBL15062927 | 0.83 | MMP1 (0.43) | ACEMMP1MMP9MMP13ADAM17 | |
| SCHEMBL14686198 | 0.80 | KDM4E (0.40) | ACEMMP1MMP9MMP13ADAM17 | |
| SCHEMBL15063008 | 0.80 | MMP1 (0.39) | ACEMMP1MMP9MMP13ADAM17 | |
| SCHEMBL15063006 | 0.80 | MMP1 (0.39) | ACEMMP1MMP9MMP13ADAM17 | |
| SCHEMBL2345500 | 0.79 | ACE (0.46) | ACECYP3A4PPARGPPARA | |
| SCHEMBL2341536 | 0.77 | ACE (0.38) | ACEPPARGPPARAEDNRBEDNRA | |
| SCHEMBL2361988 | 0.76 | GPR132 (0.42) | MMP1MMP9MMP13KMT2AGPR132 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2361243-B9 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2014-06-11 | — | — | EP | disclosed |
| EP-2361243-B1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2013-07-03 | — | — | EP | disclosed |