Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22702081 | 0.75 | SMN1; SMN2 (0.49) | SMN1; SMN2MAOAMAOBKDM4EMEN1 | |
| SCHEMBL6866606 | 0.75 | MAOA (0.57) | SMN1; SMN2MAOAMAOBKDM4EMEN1 | |
| SCHEMBL6866612 | 0.75 | MAOA (0.57) | SMN1; SMN2MAOAMAOBKDM4EMEN1 | |
| SCHEMBL15066769 | 0.73 | SMN1; SMN2 (0.53) | SMN1; SMN2MAOAMAOBKDM4EMEN1 | |
| SCHEMBL22702191 | 0.72 | ALDH1A1 (0.47) | SMN1; SMN2MAOAMAOBKDM4EMEN1 | |
| SCHEMBL22417273 | 0.72 | SMN1; SMN2 (0.45) | SMN1; SMN2MAOAMAOBKDM4EMEN1 | |
| SCHEMBL12614725 | 0.72 | MAOA (0.53) | SMN1; SMN2MAOAMAOBKDM4EMEN1 | |
| SCHEMBL14465565 | 0.72 | MAOA (0.53) | SMN1; SMN2MAOAMAOBKDM4EMEN1 | |
| SCHEMBL399162 | 0.72 | SMN1; SMN2 (0.56) | SMN1; SMN2MAOAMAOBKDM4EMEN1 | |
| SCHEMBL26780011 | 0.72 | MAOA (0.53) | SMN1; SMN2MAOAMAOBKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020156298-A1 | APPLICATION OF MALONONITRILE COMPOUND AS BACTERICIDE | 沈阳化工大学 | 2020-08-06 | — | — | WO | disclosed |