Methylglyoxal

Methylglyoxal

SCHEMBL6013415

C=CCn1cnc2c(N)ncnc21.CC(=O)C=O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHCY P23526 9/20 0.64
ADORA2A P29274 7/20 0.58
ADORA1 P30542 4/20 0.54
PI4KA P42356 2/20 0.54
PI4K2B Q8TCG2 2/20 0.54
PI4K2A Q9BTU6 2/20 0.54
PI4KB Q9UBF8 2/20 0.54
ADORA2B P29275 1/20 0.51
ALDH1A1 P00352 1/20 0.51
EGFR P00533 1/20 0.49

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
SCHEMBL1798270 0.88 ADORA2A (0.72) AHCYADORA2AADORA1PI4KAPI4K2B
Methylglyoxal SCHEMBL6013418 0.83 ADORA2A (0.76) AHCYADORA2AADORA1PI4KAPI4K2B
Methylglyoxal SCHEMBL6013421 0.81 ADORA2A (0.78) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL2561529 0.79 AHCY (0.66) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL1020380 0.78 AHCY (1.00) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL27713663 0.76 EGFR (0.64) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL15577353 0.76 AHCY (0.70) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL8186426 0.76 AHCY (1.00) AHCYADORA2AADORA1PI4KAPI4K2B
Methylglyoxal SCHEMBL6013428 0.76 ADORA2A (0.67) AHCYADORA2AADORA1PI4KAPI4K2B
Acetic Acid SCHEMBL4107415 0.75 ADORA2A (0.82) AHCYADORA2AADORA1PI4KAPI4K2B

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258612-A1 CFTR channel modulators CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-11-16 US 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-20060258612-A1 CFTR channel modulators CFTR, SCNN1B, SCNN1A AHCY 2166/4885ADORA2A 606/4885ADORA1 260/4885

“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.