Edetic Acid

Edetic Acid

SCHEMBL9577651

O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Mg+2].[Mg+2].[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

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 0.65
ALOX15 P16050 2/20 0.65
MAPT P10636 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TDP1 Q9NUW8 2/20 0.48
EYA2 O00167 1/20 0.48
APP P05067 1/20 0.48
ACE P12821 1/20 0.48
BLM P54132 2/20 0.46
PMP22 Q01453 2/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
TSHR P16473 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46

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 SCHEMBL778571 0.97 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL15103670 0.94 KDM4E (0.65) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL8933697 0.94 KDM4E (0.65) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL8026988 0.94 KDM4E (0.65) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL3491246 0.94 KDM4E (0.65) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL8680941 0.94 KDM4E (0.65) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL2935483 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL11168099 0.94 KDM4E (0.65) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL18528475 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL3423511 0.94 KDM4E (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0165383-B1 RESINOUS COMPOSITION KURARAY CO., LTD. (JP) 1993-06-09 EP disclosed
US-4613644-A HYDROLYZED ETHYLENE-VINYL ACETATE COPOLYMER, THERMOPLASTIC RESIN, OXIDE OR FATTY ACID SALT, MOLDING MATERIALS, GAS BARRIERS KURARAY CO., LTD. (JP) 1986-09-23 US disclosed
EP-0165383-A2 Resinous composition KURARAY CO., LTD. (JP) 1985-12-27 EP disclosed