Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 12/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 12/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4433910 | 0.89 | KEAP1 (0.48) | KEAP1NFE2L2GRIN1 | |
| SCHEMBL4432767 | 0.88 | KEAP1 (0.41) | KEAP1NFE2L2S1PR1 | |
| SCHEMBL10357061 | 0.84 | PKM (0.36) | KEAP1NFE2L2S1PR1GAACSNK2A1 | |
| SCHEMBL2850695 | 0.83 | TP53 (0.44) | KEAP1NFE2L2S1PR1L3MBTL1ALDH1A1 | |
| SCHEMBL4430895 | 0.78 | KEAP1 (0.47) | KEAP1NFE2L2 | |
| SCHEMBL4432775 | 0.76 | TP53 (0.41) | KEAP1NFE2L2L3MBTL1ALDH1A1 | |
| SCHEMBL3298174 | 0.75 | ACLY (0.33) | CSNK2A1 | |
| SCHEMBL13390328 | 0.75 | MCOLN3 (0.37) | KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL13390314 | 0.74 | PKM (0.35) | KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL7355234 | 0.74 | TP53 (0.52) | KEAP1NFE2L2L3MBTL1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121600-B1 | SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INT (DE) | 2012-07-18 | — | — | EP | disclosed |
| EP-2121600-A2 | SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | Boehringer Ingelheim International GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008099000-A2 | SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-08-21 | — | — | WO | disclosed |