Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | FAP | Q12884 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL15062870 | 1.00 | MAPK1 (0.32) | MAPK1EPHX2ALDH1A1CYP1A2TSHR | |
| SCHEMBL2340709 | 0.88 | CTSK (0.41) | — | |
| SCHEMBL15062782 | 0.88 | CTSK (0.41) | — | |
| SCHEMBL15062866 | 0.78 | MAPK1 (0.36) | MAPK1EPHX2ALDH1A1CYP1A2TSHR | |
| SCHEMBL15062865 | 0.78 | MAPK1 (0.36) | MAPK1EPHX2ALDH1A1CYP1A2TSHR | |
| SCHEMBL15062926 | 0.72 | MMP1 (0.43) | — | |
| SCHEMBL15062927 | 0.72 | MMP1 (0.43) | — | |
| SCHEMBL15062902 | 0.71 | CTSL (0.43) | — | |
| SCHEMBL15062901 | 0.71 | CTSL (0.43) | — | |
| SCHEMBL15062942 | 0.70 | ACE (0.35) | — |
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 |