Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | CHAT | P28329 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28440727 | 1.00 | CYP2C19 (0.47) | CYP2C19ALDH1A1MAOBTSHREGFR | |
| SCHEMBL28452418 | 0.82 | NFE2L2 (0.42) | CYP2C19ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL28445011 | 0.80 | CYP1A2 (0.47) | CYP2C19ALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL28449113 | 0.80 | AHR (0.41) | ALDH1A1MAOBCYP1A2NFE2L2MAOA | |
| Acrylonitrile SCHEMBL11774150 | 0.80 | CYP2C19 (0.44) | CYP2C19ALDH1A1MAOBTSHREGFR | |
| SCHEMBL28445094 | 0.80 | NFE2L2 (0.45) | TRPA1NFE2L2LMNAALOX5 | |
| SCHEMBL29093181 | 0.80 | TDP1 (0.53) | ALDH1A1MAOBKDM4EHPGDCYP1A2 | |
| SCHEMBL28448128 | 0.80 | TDP1 (0.53) | ALDH1A1MAOBKDM4EHPGDCYP1A2 | |
| SCHEMBL8104983 | 0.79 | CYP2C19 (0.43) | CYP2C19ALDH1A1MAOBTSHREGFR | |
| SCHEMBL8104987 | 0.79 | CYP2C19 (0.43) | CYP2C19ALDH1A1MAOBTSHREGFR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |