Methylglyoxal

Methylglyoxal

SCHEMBL6013420

CC(=O)C=O.Cc1cccnc1N

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.68
▸ NOS2 P35228 3/20 0.68
▸ NOS1 P29475 1/20 0.68
▸ NAPRT Q6XQN6 2/20 0.50
▸ PLAU P00749 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ PRKCI P41743 2/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL29435528 0.82 — —
SCHEMBL17639 0.82 — —
Acetic Acid Methyl Ester SCHEMBL28120374 0.82 NOS3 (0.68) NOS3NOS2NOS1NAPRTPLAU
SCHEMBL27768617 0.80 — —
SCHEMBL3181216 0.80 — —
Hydrochloric Acid SCHEMBL8812851 0.80 — —
SCHEMBL1181839 0.79 NOS2 (0.83) NOS3NOS2NOS1NAPRTPLAU
Bromide SCHEMBL29506576 0.78 NOS2 (0.91) NOS3NOS2NOS1NAPRTPLAU
Ammonia Solution, Strong SCHEMBL6865420 0.78 NOS3 (0.61) NOS3NOS2NOS1NAPRTPLAU
Alcohol SCHEMBL28917587 0.77 NOS2 (0.79) NOS3NOS2NOS1NAPRTPLAU

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 NOS3 2539/4885NOS2 2647/4885NOS1 2052/4885

“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.

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