Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 5/20 | 0.39 |
| ▸ | FPR2 | P25090 | 2/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | EDNRB | P24530 | 2/20 | 0.33 |
| ▸ | EDNRA | P25101 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2346160 | 1.00 | ACE (0.39) | ACEFPR2CTSLCTSBCTSS | |
| SCHEMBL15062942 | 0.82 | ACE (0.35) | ACEFPR2CTSLCTSBCTSS | |
| SCHEMBL15062943 | 0.82 | ACE (0.35) | ACEFPR2CTSLCTSBCTSS | |
| SCHEMBL15062927 | 0.78 | MMP1 (0.43) | ACEEDNRBEDNRAPPARGPPARA | |
| SCHEMBL15062926 | 0.78 | MMP1 (0.43) | ACEEDNRBEDNRAPPARGPPARA | |
| SCHEMBL2396614 | 0.77 | CTSL (0.42) | ACEFPR2CTSLCTSBCTSS | |
| SCHEMBL2396618 | 0.77 | CTSL (0.42) | ACEFPR2CTSLCTSBCTSS | |
| SCHEMBL15062779 | 0.73 | FPR2 (0.32) | ACEFPR2CTSLCTSBCTSS | |
| SCHEMBL15062778 | 0.72 | LNPEP (0.31) | ACE | |
| SCHEMBL15062780 | 0.72 | LNPEP (0.31) | ACE |
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 |