Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CTSA | P10619 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8770892 | 0.87 | MEN1 (0.44) | CES2CES1ALDH1A1MAPTHTT | |
| SCHEMBL28032089 | 0.87 | MEN1 (0.44) | CES2CES1ALDH1A1MAPTHTT | |
| SCHEMBL13882314 | 0.86 | ADRA2A (0.59) | ADRB1ADRA2AADRB3ADRA2BADRA2C | |
| SCHEMBL8770989 | 0.85 | NLRP3 (0.46) | CES2CES1ADRB1ADRA2AADRB3 | |
| SCHEMBL8770908 | 0.84 | CES2 (0.43) | CES2CES1ADRB1ADRA2AADRB3 | |
| SCHEMBL8771339 | 0.80 | CES2 (0.51) | CES2CES1ADRB1ADRA2AADRB3 | |
| SCHEMBL23481544 | 0.77 | MEN1 (0.42) | CES2CES1CTSAALDH1A1MEN1 | |
| SCHEMBL8771032 | 0.76 | CYP2C9 (0.45) | MAPTHTTMEN1KMT2A | |
| SCHEMBL5087982 | 0.76 | CES2 (0.58) | CES2CES1GLSALDH1A1BCHE | |
| SCHEMBL8770909 | 0.76 | HTT (0.51) | SMN1; SMN2HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0451668-B1 | Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates | CHISSO CORP (JP) | 1997-08-13 | — | — | EP | disclosed |
| US-5202457-A | Enzyme catalyzed transesterification, resolution of optical active alkyl 3-aryl-3-hydroxypropionate | CHISSO CORPORATION (JP) | 1993-04-13 | — | — | US | disclosed |
| EP-0451668-A2 | Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof | CHISSO CORPORATION (JP) | 1991-10-16 | — | — | EP | disclosed |