Oxalic Acid

Oxalic Acid

SCHEMBL8974842

NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)O

nearest known ligand 0.96

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
▸ OPRM1 known ✓ P35372 1/20 0.63
▸ ADH1A P07327 2/20 0.96
▸ LMNA P02545 1/20 0.73
▸ PMP22 Q01453 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ ALOX12 P18054 1/20 0.73
▸ P2RY1 P47900 6/20 0.70
▸ P2RY2 P41231 2/20 0.70
▸ SRC P12931 1/20 0.70
▸ P2RX1 P51575 1/20 0.70
▸ P2RX3 P56373 1/20 0.70
▸ P2RX4 Q99571 1/20 0.70
▸ P2RX2 Q9UBL9 1/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ LDHA P00338 1/20 0.69
▸ LDHB P07195 1/20 0.69
▸ MACROD2 A1Z1Q3 1/20 0.66
▸ SIRT6 Q8N6T7 1/20 0.66

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
Hydrogen Peroxide SCHEMBL9681552 0.99 ADH1A (0.98) ADH1ALMNAPMP22TP53TSHR
SCHEMBL29740660 0.98 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL29350404 0.98 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL29548827 0.98 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL1276381 0.98 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL29351291 0.98 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL8003782 0.98 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL8187 0.98 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL20202727 0.98 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL8188 0.98 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704053-A1 ANALYSIS OF ANALYTES IN BIOLOGICAL FLUIDS BECKMAN INSTRUMENTS, INC. (US) 1996-04-03 — — EP disclosed
WO-1995028637-A1 ANALYSIS OF ANALYTES IN BIOLOGICAL FLUIDS BECKMAN INSTRUMENTS, INC. (US) 1995-10-26 — — WO disclosed
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