Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | GLS | O94925 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL8770923 | 0.88 | CES2 (0.41) | CES2CES1ADRB1ADRB3CYP2D6 | |
| SCHEMBL8770910 | 0.84 | CES2 (0.46) | CES2CES1ADRB1ADRA2AADRB3 | |
| SCHEMBL8770989 | 0.81 | NLRP3 (0.46) | CES2CES1ADRB1ADRA2AADRB3 | |
| SCHEMBL8770959 | 0.77 | KMT2A (0.37) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL8770920 | 0.77 | MEN1 (0.42) | ADRB1CYP2D6HDAC3HDAC1HDAC2 | |
| SCHEMBL8771339 | 0.77 | CES2 (0.51) | CES2CES1ADRB1ADRA2AADRB3 | |
| SCHEMBL8771331 | 0.77 | HTT (0.42) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL8770864 | 0.77 | POLB (0.47) | MTNR1AMTNR1B | |
| SCHEMBL8770906 | 0.77 | ADRB2 (0.51) | ADRB1CYP2D6HDAC3HDAC1HDAC2 | |
| SCHEMBL17847177 | 0.76 | ESR1 (0.35) | CYP2D6HDAC3HDAC1HDAC2HDAC8 |
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 |