Oxalic Acid

Oxalic Acid

SCHEMBL6474467

NCC(N)c1cccc2ccccc12.NCCN.O=C(O)C(=O)O

nearest known ligand 0.46

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
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 1/20 0.44
HTR1B P28222 2/20 0.42
ACP3 P15309 3/20 0.42
NR2E1 Q9Y466 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40

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 SCHEMBL17065865 0.97 ALDH1A1 (0.48) ALDH1A1HPGDCYP2C9CYP2C19HTT
Acetic Acid SCHEMBL27888772 0.89 ALDH1A1 (0.47) ALDH1A1HPGDCYP2C9CYP2C19HTT
SCHEMBL30509738 0.87 ALDH1A1 (0.52) ALDH1A1HPGDCYP2C9CYP2C19HTT
SCHEMBL9751547 0.87 ALDH1A1 (0.52) ALDH1A1HPGDCYP2C9CYP2C19HTT
SCHEMBL342584 0.87 ALDH1A1 (0.52) ALDH1A1HPGDCYP2C9CYP2C19HTT
Hydrochloric Acid SCHEMBL2475384 0.85 ALDH1A1 (0.50) ALDH1A1HPGDCYP2C9CYP2C19HTR1B
Water SCHEMBL28672744 0.85 ALDH1A1 (0.50) ALDH1A1HPGDCYP2C9CYP2C19HTT
Hydrochloric Acid SCHEMBL693195 0.85 ALDH1A1 (0.50) ALDH1A1HPGDCYP2C9CYP2C19HTR1B
Hydrochloric Acid SCHEMBL2455223 0.85 ALDH1A1 (0.50) ALDH1A1HPGDCYP2C9CYP2C19HTR1B
Water SCHEMBL28312483 0.85 ALDH1A1 (0.50) ALDH1A1HPGDCYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050214161-A1 Test device for simultaneous measurement of multiple analytes in a single sample GUPTA SURENDRA K 2005-09-29 US disclosed
US-6524864-B2 Apparatus for analyzing and detecting preferential particles in blood Abbott Rapid Diagnostics International Unlimited Company (IE) 2003-02-25 US disclosed
US-20020086435-A1 Test strip for simultaneous detection of a plurality of analytes Abbott Rapid Diagnostics International Unlimited Company (IE) 2002-07-04 US disclosed