Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 7/20 | 0.38 |
| ▸ | CTSB | P07858 | 4/20 | 0.38 |
| ▸ | CTSS | P25774 | 4/20 | 0.38 |
| ▸ | CTSK | P43235 | 4/20 | 0.38 |
| ▸ | MMP1 | P03956 | 4/20 | 0.36 |
| ▸ | MMP9 | P14780 | 4/20 | 0.36 |
| ▸ | MMP13 | P45452 | 4/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15062930 | 1.00 | CTSL (0.38) | CTSLCTSBCTSSCTSKMMP1 | |
| SCHEMBL2337117 | 0.89 | MMP1 (0.36) | MMP1MMP9MMP13ADAM17MEN1 | |
| SCHEMBL15063008 | 0.87 | MMP1 (0.39) | MMP1MMP9MMP13ADAM17MEN1 | |
| SCHEMBL15063006 | 0.87 | MMP1 (0.39) | MMP1MMP9MMP13ADAM17MEN1 | |
| SCHEMBL15062986 | 0.83 | CTSL (0.36) | CTSLCTSBCTSSCTSK | |
| SCHEMBL15062985 | 0.83 | CTSL (0.36) | CTSLCTSBCTSSCTSK | |
| SCHEMBL2342699 | 0.82 | MMP1 (0.41) | CTSLCTSBCTSSCTSKMMP1 | |
| SCHEMBL15062926 | 0.79 | MMP1 (0.43) | MMP1MMP9MMP13ADAM17MEN1 | |
| SCHEMBL15062927 | 0.79 | MMP1 (0.43) | MMP1MMP9MMP13ADAM17MEN1 | |
| SCHEMBL15062859 | 0.79 | CTSS (0.40) | CTSLCTSBCTSSCTSKMMP1 |
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 | claimed |
| EP-2361243-B1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2013-07-03 | — | — | EP | claimed |
| 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 |