Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27001733 | 0.89 | ALDH1A1 (0.41) | ALDH1A1KDM4EPOLBMEN1KMT2A | |
| SCHEMBL410797 | 0.84 | ABCB1 (0.41) | ALDH1A1KDM4EPOLBSMN1; SMN2HTT | |
| SCHEMBL534824 | 0.81 | NPSR1 (0.60) | ALDH1A1POLBHTTNPSR1PYCR1 | |
| SCHEMBL2773430 | 0.80 | HTT (0.46) | ALDH1A1KDM4EPOLBHTTMEN1 | |
| SCHEMBL27001732 | 0.76 | ABCB1 (0.42) | ALDH1A1KDM4EPOLBMAPTPLA2G4A | |
| SCHEMBL1855982 | 0.75 | AR (0.49) | HTTMAPTPLA2G4ALTB4RAR | |
| SCHEMBL13098166 | 0.75 | AR (0.43) | POLBPYCR1ARMAOB | |
| SCHEMBL26144386 | 0.74 | CETP (0.38) | LMNAMAPTPLA2G4ALTB4RAR | |
| SCHEMBL23201206 | 0.74 | ABCB1 (0.39) | ALDH1A1KDM4EPOLBMAPTPLA2G4A | |
| SCHEMBL14183081 | 0.74 | POLB (0.59) | POLBHTTMEN1KMT2ANPSR1 |
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-2414341-A2 | OXADIAZOLE DERIVATIVES | Merck Serono SA (CH) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010115751-A2 | OXADIAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2010-10-14 | — | — | WO | disclosed |