Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 16/20 | 0.45 |
| ▸ | CTSL | P07711 | 14/20 | 0.45 |
| ▸ | CTSB | P07858 | 14/20 | 0.45 |
| ▸ | CTSK | P43235 | 12/20 | 0.43 |
| ▸ | CTSV | O60911 | 1/20 | 0.43 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15062892 | 0.92 | CTSS (0.54) | CTSSCTSLCTSBCTSK | |
| SCHEMBL2346448 | 0.92 | CTSS (0.54) | CTSSCTSLCTSBCTSK | |
| SCHEMBL15062861 | 0.84 | CTSS (0.40) | CTSSCTSLCTSBCTSKCTSV | |
| SCHEMBL15062859 | 0.84 | CTSS (0.40) | CTSSCTSLCTSBCTSKCTSV | |
| SCHEMBL14305981 | 0.84 | CTSS (0.46) | CTSSCTSLCTSBCTSK | |
| SCHEMBL2346335 | 0.80 | CTSS (0.41) | CTSSCTSLCTSBCTSK | |
| SCHEMBL2347243 | 0.78 | PRKAA2 (0.34) | CTSSCTSLCTSBCTSK | |
| SCHEMBL2347239 | 0.78 | PRKAA2 (0.34) | CTSSCTSLCTSBCTSK | |
| SCHEMBL15062804 | 0.78 | CTSS (0.46) | CTSSCTSLCTSBCTSK | |
| SCHEMBL15062803 | 0.78 | CTSS (0.46) | CTSSCTSLCTSBCTSK |
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 |