Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8770908 | 0.88 | CES2 (0.43) | CES2CES1ADRB1ADRB3CYP2D6 | |
| SCHEMBL8770892 | 0.83 | MEN1 (0.44) | CES2CES1CYP3A4CNR2MEN1 | |
| SCHEMBL28032089 | 0.83 | MEN1 (0.44) | CES2CES1CYP3A4CNR2MEN1 | |
| SCHEMBL8770864 | 0.82 | POLB (0.47) | — | |
| SCHEMBL8770906 | 0.82 | ADRB2 (0.51) | ADRB2ADRB1CYP2D6 | |
| SCHEMBL8771331 | 0.82 | HTT (0.42) | CTSSCTSKCYP2D6MEN1KMT2A | |
| SCHEMBL3224732 | 0.80 | NLRP3 (0.44) | CES2CES1CYP3A4KMT2A | |
| SCHEMBL28857505 | 0.78 | RIPK1 (0.51) | CTSSCTSKCYP2D6 | |
| SCHEMBL5654433 | 0.78 | RIPK1 (0.51) | CTSSCTSKCYP2D6 | |
| SCHEMBL8770959 | 0.77 | KMT2A (0.37) | CTSSCTSKCYP2D6MEN1KMT2A |
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 |