Edetic Acid

Edetic Acid

SCHEMBL5485760

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-].[Ca+2].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.73

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Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 0.73
ALOX15 P16050 2/20 0.73
MAPT P10636 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
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 SCHEMBL41639 1.00 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL16004809 1.00 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL21043562 0.97 KDM4E (0.70) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL17747958 0.97 KDM4E (0.70) KDM4EALOX15MAPTSMN1; SMN2TDP1
Pentetic Acid SCHEMBL136882 0.97 KDM4E (0.77) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL2170101 0.97 KDM4E (0.70) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL906 0.97 KDM4E (0.76) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL44287 0.97 KDM4E (0.76) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL3835316 0.97 KDM4E (0.76) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL42427 0.97 KDM4E (0.76) 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
US-7220584-B2 Method of making embryoid bodies from primate embryonic stem cells WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-05-22 US disclosed
US-20040023376-A1 Method of making embryoid bodies from primate embryonic stem cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-05 US disclosed
US-6602711-B1 Method of making embryoid bodies from primate embryonic stem cells WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-08-05 US disclosed