Nitrilotriacetic Acid

Nitrilotriacetic Acid

SCHEMBL6684737

O=C(O)CN(CC(=O)O)CC(=O)O.O=C1C=CC(=O)N1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CCR6 P51684 1/20 0.50
TDP1 Q9NUW8 4/20 0.44
EYA2 O00167 1/20 0.44
APP P05067 1/20 0.44
ACE P12821 1/20 0.44
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
DRD3 P35462 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
Glycolic Acid SCHEMBL29471409 0.78 GSK3A (0.58) GSK3AGSK3BCCR6TSHRKDM4E
Succinic Acid SCHEMBL4127642 0.78 GSK3A (0.58) GSK3AGSK3BCCR6TSHRCYP2C19
Bicarbonate SCHEMBL5071661 0.77 GSK3A (0.73) GSK3AGSK3BCCR6BLMALOX15
Chloroacetic Acid SCHEMBL28991877 0.76 GSK3B (0.55) GSK3AGSK3BCCR6TSHRKDM4E
Iodoacetic Acid SCHEMBL27515253 0.76 GSK3A (0.55) GSK3AGSK3BCCR6TSHRKDM4E
Thioglycolic Acid SCHEMBL2267919 0.76 GSK3A (0.55) GSK3AGSK3BCCR6TSHRKDM4E
Propionic Acid SCHEMBL264767 0.76 GSK3A (0.55) GSK3AGSK3BCCR6TDP1BLM
Glycine SCHEMBL557375 0.76 GSK3A (0.55) GSK3AGSK3BCCR6TSHRKDM4E
SCHEMBL2027194 0.76 GSK3A (0.48) GSK3AGSK3BCCR6TSHRLMNA
SCHEMBL2022977 0.76 GSK3A (0.48) GSK3AGSK3BCCR6TSHRLMNA

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-2004068141-A1 COUPLED PLASMON-WAVEGUIDE RESONANCE SPECTROSCOPIC SENSORS FOR PHARMACEUTICAL AND CHEMICAL TESTING THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2004-08-12 WO disclosed