Methylglyoxal

Methylglyoxal

SCHEMBL6013428

CC(=O)C=O.Nc1ncnc2c1ncn2CCCc1ccccc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.67
EGFR P00533 2/20 0.57
PI4KA P42356 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
ADCY5 O95622 4/20 0.53
EP300 Q09472 1/20 0.51
ADORA1 P30542 3/20 0.50
ALDH1A1 P00352 1/20 0.50
ADORA2B P29275 1/20 0.50
AHCY P23526 1/20 0.49
TMIGD3 P0DMS9 1/20 0.48

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
SCHEMBL2969651 0.89 ADORA2A (0.84) ADORA2AEGFRPI4KAPI4K2BPI4K2A
Methylglyoxal SCHEMBL6013421 0.84 ADORA2A (0.78) ADORA2API4KAPI4K2BPI4K2API4KB
Methylglyoxal SCHEMBL6013418 0.81 ADORA2A (0.76) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL1230786 0.81 ADORA2A (1.00) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL14028468 0.76 ADORA2A (0.59) ADORA2API4KAPI4K2BPI4K2API4KB
Methylglyoxal SCHEMBL6013415 0.76 AHCY (0.64) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL17297723 0.75 ADCY5 (0.74) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL6045746 0.74 ADCY5 (0.74) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL14027563 0.74 ADORA2A (0.59) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL13882135 0.73 ADORA2A (0.66) ADORA2API4KAPI4K2BPI4K2API4KB

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 ADORA2A 606/4885EGFR 2614/4885PI4KA 1749/4885

“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.