Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Mandelic Acid, Methyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.64 |
| ▸ | LMNA | P02545 | 6/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Mandelic Acid, Methyl Ester SCHEMBL186899 | 0.98 | KMT2A (0.67) | KMT2ALMNAMAPK1HPGDCES2 | |
| Mandelic Acid, Methyl Ester SCHEMBL186898 | 0.98 | KMT2A (0.67) | KMT2ALMNAMAPK1HPGDCES2 | |
| Mandelic Acid, Methyl Ester SCHEMBL186900 | 0.98 | KMT2A (0.67) | KMT2ALMNAMAPK1HPGDCES2 | |
| Mandelic Acid, Methyl Ester SCHEMBL28228867 | 0.98 | KMT2A (0.67) | KMT2ALMNAMAPK1HPGDCES2 | |
| Mandelic Acid, Methyl Ester SCHEMBL27579970 | 0.96 | KMT2A (0.64) | KMT2ALMNAMAPK1HPGDCES2 | |
| Mandelic Acid, Methyl Ester SCHEMBL8082961 | 0.96 | KMT2A (0.64) | KMT2ALMNAMAPK1HPGDCES2 | |
| Mandelic Acid, Methyl Ester SCHEMBL7512539 | 0.94 | KMT2A (0.62) | KMT2ALMNAMAPK1HPGDCES2 | |
| Mandelic Acid, Methyl Ester SCHEMBL29214409 | 0.92 | KMT2A (0.60) | KMT2ALMNAMAPK1HPGDCES2 | |
| Mandelic Acid, Methyl Ester SCHEMBL30951860 | 0.90 | KMT2A (0.63) | KMT2ALMNAMAPK1HPGDCES2 | |
| SCHEMBL6240606 | 0.90 | KMT2A (0.58) | KMT2ALMNAMAPK1HPGDCES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6469193-B1 | THREE COMPONENT COUPLINGS OF ALIPHATIC ALCOHOLS, ALKYL HALIDES AND CARBON DIOXIDE IN THE PRESENCE OF CESIUM CARBONATE AND TETRABUTYLAMMONIUM IODIDE | UNIVERSITY OF SOUTH FLORIDA | 2002-10-22 | — | — | US | disclosed |
| WO-2000050376-A9 | EFFICIENT SYNTHESIS OF ALKYL CARBONATES | UNIV SOUTH FLORIDA (US) | 2001-10-11 | — | — | WO | disclosed |
| WO-2000050376-A2 | EFFICIENT SYNTHESIS OF ALKYL CARBONATES | UNIVERSITY OF SOUTH FLORIDA (US) | 2000-08-31 | — | — | WO | disclosed |