Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR132 | Q9UNW8 | 8/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CMKLR2 | P46091 | 1/20 | 0.36 |
| ▸ | CMKLR1 | Q99788 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2361988 | 1.00 | GPR132 (0.42) | GPR132GAAFDPSSCN9AKMT2A | |
| SCHEMBL2345194 | 0.89 | FPR2 (0.42) | KDM4E | |
| SCHEMBL2345202 | 0.89 | FPR2 (0.42) | KDM4E | |
| SCHEMBL2340736 | 0.86 | CASR (0.39) | — | |
| SCHEMBL2340729 | 0.86 | CASR (0.39) | — | |
| SCHEMBL2344921 | 0.85 | GPR132 (0.42) | GPR132GAASCN9AKMT2AATM | |
| SCHEMBL15062804 | 0.83 | CTSS (0.46) | — | |
| SCHEMBL15062803 | 0.83 | CTSS (0.46) | — | |
| SCHEMBL15062860 | 0.76 | ACE (0.42) | GPR132KMT2AMMP1MMP9MMP13 | |
| SCHEMBL15062928 | 0.75 | CTSK (0.44) | KMT2A |
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-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 |