Oxalic Acid

Oxalic Acid

SCHEMBL30601976

O=C(O)C(=O)O.[2H]C([2H])([2H])NC(=O)c1cccnn1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.56
AHR P35869 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CES1 P23141 1/20 0.38
SNCA P37840 1/20 0.38
FAAH O00519 1/20 0.36
ABL1 P00519 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
BRD4 O60885 1/20 0.35
USP30 Q70CQ3 1/20 0.34
TYK2 P29597 1/20 0.34
TBXA2R P21731 1/20 0.34
CYP1A2 P05177 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
ACKR3 P25106 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
CTNNB1 P35222 1/20 0.32

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
SCHEMBL29362265 0.95 P2RX7 (0.61) P2RX7AHRKMT2AMEN1CES1
SCHEMBL22288352 0.95 P2RX7 (0.61) P2RX7AHRKMT2AMEN1CES1
Hydrochloric Acid SCHEMBL30601969 0.93 P2RX7 (0.59) P2RX7AHRKMT2AMEN1CES1
Sulfuric Acid SCHEMBL30601991 0.89 P2RX7 (0.54) P2RX7AHRKMT2AMEN1CES1
SCHEMBL30601973 0.89 P2RX7 (0.54) P2RX7AHRKMT2AMEN1CES1
SCHEMBL1403853 0.83 P2RX7 (0.67) P2RX7AHRKMT2AMEN1CES1
SCHEMBL4040893 0.74 P2RX7 (0.65) P2RX7AHRKMT2AMEN1CES1
SCHEMBL1412900 0.73 P2RX7 (0.69) P2RX7AHRKMT2AMEN1CES1
SCHEMBL14574955 0.73 ALDH1A1 (0.55) KMT2ACES1
Hydrochloric Acid SCHEMBL28798673 0.73 P2RX7 (0.62) P2RX7AHRKMT2AMEN1CES1

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
WO-2023165574-A1 COMPOUND USED AS TYK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海致根医药科技有限公司 2023-09-07 WO disclosed