Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | PPARD | Q03181 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17997742 | 0.93 | TSHR (0.50) | LMNASMN1; SMN2HIF1AALDH1A1PDE4A | |
| SCHEMBL6552375 | 0.89 | TSHR (0.60) | ACHELMNANFKB1ALDH1A1STAT3 | |
| SCHEMBL8771052 | 0.86 | TNF (0.56) | ACHEPPARGPPARDPPARASMN1; SMN2 | |
| SCHEMBL7748819 | 0.84 | CA12 (0.46) | ACHEPPARGPPARDPPARACA12 | |
| SCHEMBL5742697 | 0.84 | ACHE (0.50) | ACHEPPARGPPARDPPARACA12 | |
| SCHEMBL6987305 | 0.83 | ALDH1A1 (0.46) | LMNAALDH1A1STAT3TNFHTT | |
| Hydrochloric Acid SCHEMBL5896507 | 0.83 | ACHE (0.49) | ACHEPPARGPPARDPPARACA12 | |
| SCHEMBL1370408 | 0.82 | GAA (0.55) | ACHECA12CA1CA2CA9 | |
| SCHEMBL8771284 | 0.81 | ACHE (0.56) | ACHEPPARGPPARDPPARACA12 | |
| SCHEMBL8770891 | 0.81 | MTNR1A (0.50) | ACHEPPARGPPARDPPARALMNA |
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 |