Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.30 |
| ▸ | TEK | Q02763 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28763072 | 0.77 | — | — | |
| SCHEMBL2185565 | 0.74 | ACHE (0.30) | — | |
| SCHEMBL21737453 | 0.73 | — | — | |
| SCHEMBL13741275 | 0.70 | — | — | |
| SCHEMBL20260889 | 0.69 | — | — | |
| SCHEMBL21414017 | 0.69 | — | — | |
| SCHEMBL18481428 | 0.69 | — | — | |
| SCHEMBL26858663 | 0.67 | KCNH2 (0.35) | ALDH1A1HTTSMN1; SMN2L3MBTL1LRRK2 | |
| SCHEMBL2611113 | 0.66 | NPBWR1 (0.41) | ALDH1A1HTTSMN1; SMN2L3MBTL1LRRK2 | |
| SCHEMBL21033945 | 0.63 | — | — |
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-1710234-B1 | MALONONITRILE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2011-07-13 | — | — | EP | disclosed |
| EP-1710234-A1 | MALONONITRILE COMPOUND AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2006-10-11 | — | — | EP | disclosed |