Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 7/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 7/20 | 0.40 |
| ▸ | PPARA | Q07869 | 7/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.36 |
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 | 0.88 | GPR132 (0.42) | ACEFOLH1PPARGPPARACYP3A4 | |
| SCHEMBL2340391 | 0.79 | METAP2 (0.37) | ACEFOLH1 | |
| SCHEMBL15062860 | 0.79 | ACE (0.42) | ACEPPARGPPARACYP3A4 | |
| SCHEMBL2340729 | 0.76 | CASR (0.39) | ACEFOLH1PPARGPPARAALDH1A1 | |
| SCHEMBL2340736 | 0.76 | CASR (0.39) | ACEFOLH1PPARGPPARAALDH1A1 | |
| SCHEMBL2347184 | 0.75 | KIF11 (0.52) | — | |
| SCHEMBL2361986 | 0.75 | GPR132 (0.42) | — | |
| SCHEMBL2361988 | 0.75 | GPR132 (0.42) | — | |
| SCHEMBL2345202 | 0.74 | FPR2 (0.42) | PPARGPPARAALDH1A1 | |
| SCHEMBL2345194 | 0.74 | FPR2 (0.42) | PPARGPPARAALDH1A1 |
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 4 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 |
| EP-2361243-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Virobay, Inc. (US) | 2011-08-31 | — | — | EP | disclosed |
| WO-2010056877-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2010-05-20 | — | — | WO | disclosed |