Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1922073 | 0.83 | NPSR1 (0.72) | NPSR1MAPTALDH1A1EGFRPTGS2 | |
| SCHEMBL28290543 | 0.82 | MAPT (0.51) | NPSR1MAPTHPGDKDM4EALDH1A1 | |
| SCHEMBL4726148 | 0.82 | AURKA (0.65) | MAPK1EGFR | |
| SCHEMBL28549525 | 0.81 | FABP4 (0.47) | NPSR1MAPTHPGDKDM4EALDH1A1 | |
| SCHEMBL7166092 | 0.79 | PTGS2 (0.62) | NPSR1MAPTGAAPTGS2CYP2C9 | |
| SCHEMBL27597738 | 0.78 | MAPK14 (0.42) | MAPTHPGDKDM4EALDH1A1GAA | |
| SCHEMBL1623708 | 0.76 | SLC6A4 (0.66) | MAPTKDM4EALDH1A1GAAHSD17B10 | |
| SCHEMBL1626521 | 0.75 | TRPV1 (0.50) | MAPTKDM4EALDH1A1GAAL3MBTL1 | |
| SCHEMBL14952480 | 0.75 | NPSR1 (0.60) | NPSR1MAPTALDH1A1EGFRPTGS2 | |
| SCHEMBL28291986 | 0.75 | PTGS2 (0.45) | MAPTHPGDKDM4EALDH1A1GAA |
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-109706194-B | Method for synthesizing phenethyl alcohol beta-amino alcohol derivatives on line based on mobile chemical enzymatic ammonolysis reaction | 浙江工业大学 | 2021-04-06 | — | — | CN | disclosed |
| CN-109706194-A | A method of phenylethanol beta-alkamine derivative is synthesized online based on chemical enzymatic aminolysis reaction is flowed | 浙江工业大学 | 2019-05-03 | — | — | CN | disclosed |