Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PTPRZ1 | P23471 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2342755 | 0.81 | ALDH1A1 (0.38) | CA2CA1GAAKIF11ALDH1A1 | |
| SCHEMBL28038586 | 0.77 | CA2 (0.40) | CA2CA1RORCALDH1A1KMT2A | |
| SCHEMBL17583209 | 0.76 | CA2 (0.39) | CA2CA1RORCALDH1A1KMT2A | |
| SCHEMBL776070 | 0.74 | CXCR2 (0.45) | CA2CA1SOS1FFAR1FFAR4 | |
| SCHEMBL7922762 | 0.73 | GAA (0.37) | GAAKIF11KMT2A | |
| Phosphine SCHEMBL29104332 | 0.72 | CXCR2 (0.44) | CA2CA1SOS1FFAR1FFAR4 | |
| Hydrogen Sulfide SCHEMBL27490752 | 0.72 | CXCR2 (0.44) | CA2CA1SOS1FFAR1FFAR4 | |
| SCHEMBL778365 | 0.72 | CA2 (0.67) | CA2CA1ARCA12CA7 | |
| SCHEMBL27841648 | 0.71 | PPARG (0.37) | CA2CA1SOS1FFAR1FFAR4 | |
| Ammonia Solution, Strong SCHEMBL28581052 | 0.70 | CA2 (0.65) | CA2CA1ARCA12CA7 |
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 |