Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28452418 | 0.82 | NFE2L2 (0.42) | CYP1A2ALOX5PTGS1PTGS2ALDH1A1 | |
| SCHEMBL28445011 | 0.81 | CYP1A2 (0.47) | CYP1A2ALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL28445094 | 0.81 | NFE2L2 (0.45) | ALOX5PTGS1PTGS2LMNAMAPT | |
| SCHEMBL28440727 | 0.80 | CYP2C19 (0.47) | CYP1A2ALOX5ALDH1A1LMNANFE2L2 | |
| SCHEMBL29093795 | 0.80 | CYP2C19 (0.47) | CYP1A2ALOX5ALDH1A1LMNANFE2L2 | |
| SCHEMBL28443843 | 0.79 | CHAT (0.46) | CYP1A2ALDH1A1MAPTFBP1GAA | |
| SCHEMBL28448160 | 0.78 | KDM4E (0.50) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL2600068 | 0.77 | AHR (0.48) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL9407065 | 0.74 | AHR (0.45) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL9407063 | 0.74 | AHR (0.45) | AHRCYP1A2ALOX5PTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111440091-B | Synthesis method of (E) -2, 2-dimethyl-4-aryl-but-3-enenitrile compound | 新疆普禾粟新型环保材料有限公司 | 2023-01-06 | — | — | CN | disclosed |
| CN-111440091-A | Synthesis method of (E) -2, 2-dimethyl-4-aryl-but-3-enenitrile compound | 沅江华龙催化科技有限公司 | 2020-07-24 | — | — | CN | disclosed |