Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Mandelic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.48 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.48 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.47 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| Mandelic Acid SCHEMBL9393798 | 0.88 | LMNA (0.72) | LMNAMAPK1HTR2AHRH1 | |
| Aminodiphenylmethane SCHEMBL23925166 | 0.87 | GSR (0.67) | GSRPOLBKMT2ATDP1DPP8 | |
| Aminodiphenylmethane SCHEMBL14167635 | 0.87 | GSR (0.67) | GSRPOLBKMT2ATDP1DPP8 | |
| Diphenylacetic Acid SCHEMBL10358556 | 0.86 | GSR (0.65) | GSRPOLBKMT2ATDP1DPP8 | |
| Phenylglycine SCHEMBL23629659 | 0.86 | GSR (0.65) | GSRPOLBKMT2ATDP1DPP8 | |
| Lysine SCHEMBL29438093 | 0.83 | GSR (0.61) | GSRPOLBKMT2ATDP1DPP8 | |
| Lysine SCHEMBL28214073 | 0.83 | GSR (0.91) | GSRPOLBKMT2ATDP1DPP8 | |
| Lysine SCHEMBL28553383 | 0.82 | SRC (0.61) | GSRPOLBKMT2ATDP1DPP8 | |
| Lysine SCHEMBL28249818 | 0.82 | GSR (0.69) | GSRPOLBKMT2ATDP1DPP8 | |
| Lysine SCHEMBL28249816 | 0.82 | GSR (0.69) | GSRPOLBKMT2ATDP1DPP8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019183385-A1 | MAPK/ERK INHIBITION FOR OVARIAN AND OTHER CANCERS | UNIVERSITY OF ROCHESTER (US) | 2019-09-26 | — | — | WO | disclosed |