Edetic Acid

Edetic Acid

SCHEMBL15955848

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

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
ACE known ✓ P12821 1/20 0.52
CA1 known ✓ P00915 14/20 0.39
CA2 known ✓ P00918 14/20 0.39
CA4 known ✓ P22748 6/20 0.39
CA12 known ✓ O43570 3/20 0.32
KDM4E B2RXH2 2/20 0.55
ALOX15 P16050 2/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 2/20 0.52
EYA2 O00167 1/20 0.52
APP P05067 1/20 0.52
LMNA P02545 3/20 0.50
BLM P54132 2/20 0.50
PMP22 Q01453 2/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
TSHR P16473 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50

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 SCHEMBL2854909 1.00 KDM4E (0.55) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL22287007 1.00 KDM4E (0.55) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL27455679 1.00 KDM4E (0.55) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL8780132 0.92 KDM4E (0.63) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL9159075 0.88 TDP1 (0.67) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL8629174 0.86 TDP1 (0.64) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL22557649 0.86 TDP1 (0.64) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL2854897 0.86 TDP1 (0.64) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL15955845 0.86 TDP1 (0.64) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL8780120 0.86 TDP1 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014126931-A1 STABLE PLATELET- RICH-PLASMA COMPOSITIONS AND METHODS OF USE VICTOR STEVEN (US) 2014-08-21 WO disclosed