Edetic Acid

Edetic Acid

SCHEMBL9225804

NC(CO)(CO)CO.O=C([O-])CN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-].OB(O)O.[Na+].[Na+]

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DHFRGARTPTGFRPTGIRPTGS1PTGS2TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8envmurAthyA

The experimentally established mechanism targets of Edetic 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
KDM4E B2RXH2 2/20 0.49
ALOX15 P16050 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 2/20 0.45
EYA2 O00167 1/20 0.45
APP P05067 1/20 0.45
ACE P12821 1/20 0.45
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
LMNA P02545 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
TSHR P16473 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44

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
Edetic Acid SCHEMBL11234714 0.93 KDM4E (0.52) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL11234740 0.93 KDM4E (0.52) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL9048495 0.90 TDP1 (0.56) KDM4EALOX15TDP1EYA2APP
Edetic Acid SCHEMBL5470836 0.90 TDP1 (0.56) KDM4EALOX15TDP1EYA2APP
Edetic Acid SCHEMBL11797803 0.88 TDP1 (0.50) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL9225789 0.88 TDP1 (0.54) KDM4EALOX15TDP1EYA2APP
Edetic Acid SCHEMBL18221822 0.88 KDM4E (0.61) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL49456 0.84 TDP1 (0.64) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL5697081 0.80 TDP1 (0.70) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL6347093 0.80 TDP1 (0.70) KDM4EALOX15MAPTSMN1; SMN2TDP1

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
US-5453162-A Multiple zone pulsed-field; DNA UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-09-26 US disclosed
EP-0644420-A2 Method and apparatus for gel electrophoresis THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-03-22 EP disclosed