Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | F2R | P25116 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 3/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7529144 | 0.88 | TSHR (0.44) | NLRP3TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8771032 | 0.86 | CYP2C9 (0.45) | TSHRMAPTCYP2C9CYP2C19F10 | |
| SCHEMBL8770959 | 0.81 | KMT2A (0.37) | CYP2C9CYP2C19 | |
| SCHEMBL10249906 | 0.78 | TSHR (0.47) | NLRP3TSHRALDH1A1CASP1F2 | |
| SCHEMBL8770951 | 0.78 | CYP26A1 (0.36) | TSHRCYP2C9CYP2C19 | |
| SCHEMBL23209997 | 0.77 | TSHR (0.46) | NLRP3TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL29619719 | 0.77 | TSHR (0.46) | NLRP3TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL16797693 | 0.77 | CA12 (0.46) | NLRP3TSHRALDH1A1GAACASP1 | |
| SCHEMBL8771031 | 0.77 | CASP1 (0.48) | NLRP3TSHRALDH1A1MAPTCYP2C9 | |
| SCHEMBL8770989 | 0.77 | NLRP3 (0.46) | NLRP3TSHRALDH1A1MAPT |
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 |