Sugi Predict

Sugi Predict / Compounds / Methylglyoxal

Methylglyoxal

Methylglyoxal

SCHEMBL3950700

CC(=O)C=O.CC(O)NNc1ccccc1C(=O)NN.CC(O)NNc1ccccc1C(=O)NN

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 2/20 0.40
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ GAA P10253 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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 SCHEMBL2950078 0.82 CTSD (0.49) CTSDCA1CA2CA9ALDH1A1
Methylglyoxal SCHEMBL8854728 0.81 CTSD (0.47) CTSDCA1CA2CA9ALDH1A1
Methylglyoxal SCHEMBL2956982 0.73 CTSD (0.40) CTSDCA1CA2CA9ALDH1A1
SCHEMBL960115 0.71 CTSD (0.50) CTSDCA1CA2CA9ALDH1A1
SCHEMBL24016742 0.71 CTSD (0.46) CTSDCA1CA2CA9ALDH1A1
SCHEMBL27950836 0.70 RXFP1 (0.50) CTSDCA1CA2CA9ALDH1A1
Methylglyoxal SCHEMBL8854648 0.70 DHODH (0.51) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL960781 0.69 KDM4E (0.58) CTSDCA1CA2CA9ALDH1A1
Hydroxyamine SCHEMBL14300671 0.68 CTSD (0.61) CTSDCA1CA2CA9ALDH1A1
SCHEMBL10697985 0.67 CTSD (0.49) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1576093-A4 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS INC (US) 2009-07-08 — — EP claimed
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 — — EP claimed
EP-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 — — EP claimed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 — — WO claimed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 — — WO claimed
EP-1576093-A4 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS INC (US) 2009-07-08 — — EP disclosed
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 — — EP disclosed
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-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 — — EP disclosed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 — — WO disclosed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 — — WO 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