Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 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 | |
|---|---|---|---|---|
| SCHEMBL15297576 | 1.00 | BTK (0.50) | BTKCTSKKMT2AL3MBTL1GAA | |
| SCHEMBL15584722 | 1.00 | BTK (0.50) | BTKCTSKKMT2AL3MBTL1GAA | |
| SCHEMBL578639 | 0.85 | BTK (0.49) | BTKCTSKKMT2AL3MBTL1GAA | |
| SCHEMBL578638 | 0.85 | BTK (0.49) | BTKCTSKKMT2AL3MBTL1GAA | |
| SCHEMBL19575961 | 0.85 | BTK (0.43) | BTKCTSKKMT2AL3MBTL1GAA | |
| SCHEMBL1873410 | 0.84 | BTK (0.51) | BTKCTSKKMT2AL3MBTL1GAA | |
| SCHEMBL13920528 | 0.84 | BTK (0.51) | BTKCTSKKMT2AL3MBTL1GAA | |
| SCHEMBL1873412 | 0.84 | BTK (0.51) | BTKCTSKKMT2AL3MBTL1GAA | |
| SCHEMBL20734047 | 0.81 | BTK (0.46) | BTKCTSKKMT2AL3MBTL1GAA | |
| SCHEMBL23539248 | 0.80 | BTK (0.54) | BTKCTSKKMT2AL3MBTL1GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2831075-B1 | 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-11-08 | — | — | EP | disclosed |