Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 12/20 | 0.59 |
| ▸ | CHRNA3 | P32297 | 12/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22097408 | 0.87 | CHRNB4 (0.58) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL6558703 | 0.80 | CHRNB4 (0.90) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL27928338 | 0.78 | CHRNB4 (0.55) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL3935574 | 0.75 | CHRNB4 (1.00) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| Hydrochloric Acid SCHEMBL1418507 | 0.74 | CHRNA7 (0.59) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL24233984 | 0.72 | CHRNB4 (0.64) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL18985115 | 0.71 | CHRNB4 (0.67) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL24344048 | 0.71 | CHRNA7 (0.68) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL31511184 | 0.70 | CHRNB4 (0.51) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL3574404 | 0.70 | CHRNB4 (0.55) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114836490-A | Application of imine reductase in catalytic synthesis of chiral 2-aryl pyrrolidine | 上海健康医学院 | 2022-08-02 | — | — | CN | disclosed |
| CN-109734643-B | Method for synthesizing pyrroline compound by catalyzing amino alcohol and enol with iron | 陕西师范大学 | 2021-05-14 | — | — | CN | disclosed |
| CN-109734643-A | The method that iron catalytic amino alcohol synthesizes pyrrolines with enol | 陕西师范大学 | 2019-05-10 | — | — | CN | disclosed |