Methylglyoxal

Methylglyoxal

SCHEMBL6452706

CC(=O)C=O.CC(O)(CO)N(N)c1ccccc1C(=O)NN.CC(O)(CO)N(N)c1ccccc1C(=O)NN

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.34
P2RX7 Q99572 1/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
MITF O75030 1/20 0.32
GAA P10253 1/20 0.32
NCOA1 Q15788 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
PTPN1 P18031 2/20 0.31
TSHR P16473 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31

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.

Compoundsimilaritytop predictedshared targets
Methylglyoxal SCHEMBL8854583 0.88 PTPN1 (0.40) CA1CA2CA9ALDH1A1MAPT
Methylglyoxal SCHEMBL2956982 0.75 CTSD (0.40) CTSDCA1CA2CA9ALDH1A1
Methylglyoxal SCHEMBL2950078 0.70 CTSD (0.49) CTSDCA1CA2CA9ALDH1A1
Methylglyoxal SCHEMBL8854728 0.69 CTSD (0.47) CTSDCA1CA2CA9ALDH1A1
SCHEMBL962276 0.68 ALDH1A1 (0.62) CTSDCA1CA2CA9ALDH1A1
SCHEMBL961664 0.66 CTSD (0.50) CTSDCA1CA2CA9ALDH1A1
SCHEMBL959908 0.66 CTSD (0.50) CTSDCA1CA2CA9ALDH1A1
SCHEMBL10921933 0.65 CTSD (0.49) CTSDCA1CA2CA9ALDH1A1
Acetic Acid SCHEMBL27741391 0.64 CTSD (0.60) CTSDCA1CA2CA9ALDH1A1
SCHEMBL959111 0.64 CTSD (0.47) CTSDCA1CA2CA9ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661139-A FOR INHIBITING GLYCOSYLATION OF PROTEINS TO PREVENT DISCOLORATION OF THE TEETH ALTEON INC. (US) 1997-08-26 US claimed
WO-1996040622-A1 BIS-(2-ARYL)HYDRAZONES AS INHIBITORS OF THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC. (US) 1996-12-19 WO claimed
EP-1175155-A4 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CT (US) 2005-10-19 EP disclosed
EP-1175155-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2002-01-30 EP disclosed
WO-2000062626-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2000-10-26 WO disclosed
US-5661139-A FOR INHIBITING GLYCOSYLATION OF PROTEINS TO PREVENT DISCOLORATION OF THE TEETH ALTEON INC. (US) 1997-08-26 US disclosed