Oxalic Acid

Oxalic Acid

SCHEMBL7143552

Fc1ccc2c(c1)CCn1ncnc1C2=C1CCN(C/C=C/c2ccccc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.42

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
SLC6A4 known ✓ P31645 1/20 0.37
OPRM1 known ✓ P35372 1/20 0.37
LMNA P02545 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 3/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
KCNH2 Q12809 2/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 2/20 0.38
PTAFR P25105 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38

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
Oxalic Acid SCHEMBL7143554 1.00 LMNA (0.41) LMNASMN1; SMN2GAAKDM4EHTT
Water SCHEMBL7140424 0.79 PTAFR (0.40) KCNH2MAPK1PTAFRCCR3DRD2
SCHEMBL7140680 0.76 PTAFR (0.40) KCNH2PTAFRALDH1A1DRD2HRH1
SCHEMBL7136262 0.75 PTAFR (0.43) HTTTSHRKCNH2PTAFRALDH1A1
SCHEMBL7141837 0.75 HRH1 (0.50) LMNASMN1; SMN2KDM4EHTTTSHR
Oxalic Acid SCHEMBL7138856 0.73 HTR5A (0.49) SMN1; SMN2KDM4ENPC1ALDH1A1HTR1A
SCHEMBL7139726 0.73 HRH1 (0.38) HTTKCNH2PTAFRDRD2SLC6A2
SCHEMBL7141253 0.72 PTAFR (0.38) LMNAKCNH2PTAFRMEN1KMT2A
SCHEMBL7166986 0.71 HRH1 (0.47) TSHRKCNH2MEN1KMT2ACACNA1G
Water SCHEMBL9288075 0.70 LMNA (0.45) LMNAKCNH2CYP2D6MEN1CYP1A2

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
EP-0675887-B1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-02 EP disclosed