Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | PPARD | Q03181 | 4/20 | 0.50 |
| ▸ | PPARG | P37231 | 3/20 | 0.50 |
| ▸ | PPARA | Q07869 | 3/20 | 0.50 |
| ▸ | PLG | P00747 | 3/20 | 0.46 |
| ▸ | PLAU | P00749 | 3/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28607801 | 0.82 | KMT2A (0.60) | KMT2APPARDPPARGPPARAPLG | |
| SCHEMBL418013 | 0.76 | KMT2A (0.60) | KMT2APPARDPPARGPPARANTSR1 | |
| SCHEMBL400167 | 0.75 | TNF (0.47) | PLGPLAUHDAC8HDAC6HDAC11 | |
| Trifluoroacetic Acid SCHEMBL2950617 | 0.75 | PLG (0.44) | PPARGPLGPLAUHDAC8HDAC6 | |
| SCHEMBL30103437 | 0.74 | KMT2A (0.62) | KMT2APPARDPPARGPPARAITGB3 | |
| SCHEMBL4234811 | 0.74 | KMT2A (0.62) | KMT2APPARDPPARGPPARAITGB3 | |
| SCHEMBL4616598 | 0.74 | PLAU (0.51) | PLGPLAUHDAC8HDAC6HDAC11 | |
| SCHEMBL2414207 | 0.73 | MAOB (0.49) | KMT2APLGPLAUHDAC6 | |
| SCHEMBL19145535 | 0.73 | KMT2A (0.60) | KMT2APPARDPPARGPPARAITGB3 | |
| SCHEMBL5537950 | 0.73 | KMT2A (0.60) | KMT2APPARDPPARGPPARAHDAC8 |
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-2376484-B1 | OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO SA (CH) | 2015-04-22 | — | — | EP | disclosed |
| US-8741923-B2 | Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis | MERCK SERONO SA (CH) | 2014-06-03 | — | — | US | disclosed |
| WO-2010069949-A1 | OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO S.A. (CH) | 2010-06-24 | — | — | WO | disclosed |