Methylglyoxal

Methylglyoxal

SCHEMBL5582423

CC(=O)C=O.NNc1ccc(C(=O)O)cc1.NNc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KMT2A Q03164 3/20 0.42
SRD5A2 P31213 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MITF O75030 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7034 0.88 TSHR (0.60) TP53TSHRALDH1A1SMN1; SMN2POLB
Hydrazine SCHEMBL28420061 0.86 TSHR (0.57) TP53TSHRALDH1A1SMN1; SMN2POLB
Bromide SCHEMBL20984518 0.86 TSHR (0.57) TP53TSHRALDH1A1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL83661 0.86 TSHR (0.57) TP53TSHRALDH1A1SMN1; SMN2POLB
Charcoal, Activated SCHEMBL31491472 0.86 TSHR (0.57) TP53TSHRALDH1A1SMN1; SMN2POLB
Methylglyoxal SCHEMBL2952275 0.85 MAPT (0.50) ALDH1A1POLBTDP1L3MBTL1KMT2A
Phenylhydrazine SCHEMBL5581958 0.84 TDP1 (0.58) TP53TSHRALDH1A1SMN1; SMN2POLB
Oxalic Acid SCHEMBL20984984 0.84 TSHR (0.55) TP53TSHRALDH1A1SMN1; SMN2POLB
Hydrazine SCHEMBL28169554 0.84 TSHR (0.55) TP53TSHRALDH1A1SMN1; SMN2POLB
Formaldehyde SCHEMBL27512000 0.84 TSHR (0.55) TP53TSHRALDH1A1SMN1; SMN2POLB

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US disclosed
US-5661139-A FOR INHIBITING GLYCOSYLATION OF PROTEINS TO PREVENT DISCOLORATION OF THE TEETH ALTEON INC. (US) 1997-08-26 US disclosed
WO-1996040622-A1 BIS-(2-ARYL)HYDRAZONES AS INHIBITORS OF THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC. (US) 1996-12-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin FN3K, PDXK, COLGALT1 TP53 3400/4885TSHR 4155/4885ALDH1A1 927/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.