Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 11/20 | 0.35 |
| ▸ | MMP1 | P03956 | 5/20 | 0.35 |
| ▸ | MMP9 | P14780 | 5/20 | 0.35 |
| ▸ | MMP13 | P45452 | 5/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL15062802 | 1.00 | NAMPT (0.35) | NAMPTMMP1MMP9MMP13MMP3 | |
| SCHEMBL15062861 | 0.81 | CTSS (0.40) | NAMPTMMP1MMP9MMP13MMP3 | |
| SCHEMBL15062859 | 0.81 | CTSS (0.40) | NAMPTMMP1MMP9MMP13MMP3 | |
| SCHEMBL2362018 | 0.77 | CTSS (0.45) | CTSLCTSBCTSS | |
| SCHEMBL15062922 | 0.75 | CTSS (0.45) | CTSLCTSBCTSS | |
| SCHEMBL15062923 | 0.75 | CTSS (0.45) | CTSLCTSBCTSS | |
| SCHEMBL15062941 | 0.71 | CTSS (0.57) | CTSLCTSBCTSS | |
| SCHEMBL15062940 | 0.71 | CTSS (0.57) | CTSLCTSBCTSS | |
| SCHEMBL15062869 | 0.69 | MAPK1 (0.32) | ALDH1A1 | |
| SCHEMBL15062870 | 0.69 | MAPK1 (0.32) | ALDH1A1 |
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 |