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Edetic Acid

Edetic Acid

SCHEMBL2945908

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-].[OH-].[OH-].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[Sr+2]

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

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 SCHEMBL1179387 0.97 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL8675893 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL10780643 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL9131150 0.94 KDM4E (0.71) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL5315227 0.91 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL9054050 0.91 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL7079696 0.91 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL3103687 0.91 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL6265241 0.91 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL1938902 0.91 KDM4E (0.68) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754194-B2 Hair relaxer compositions utilizing bioactive glass L'ORÉAL (FR) 2010-07-13 — — US disclosed
EP-1726290-A1 Hair relaxer compositions utilizing complexing agent activators L'OREAL S.A. (FR) 2006-11-29 — — EP disclosed
US-20060228316-A1 Hair relaxer compositions utilizing bioactive glass L'OREAL (FR) 2006-10-12 — — US disclosed
EP-1709997-A1 Hair relaxer compositions comprising a bioactive glass L'Oréal (FR) 2006-10-11 — — EP disclosed
EP-1261312-B1 HAIR RELAXER COMPOSITIONS UTILIZING COMPLEXING AGENT ACTIVATORS OREAL (FR) 2006-09-06 — — EP disclosed
US-6562327-B1 Including such as tetrasodium ethylene diamine tetraacetic in formulation using insoluble metal hydroxide; reducing or eliminating white ashing L'OREAL S.A. (FR) 2003-05-13 — — US disclosed
CN-1407883-A Hair relaxer compositions using complexing agent activators OREAL (FR) 2003-04-02 — — CN disclosed
EP-1261312-A2 HAIR RELAXER COMPOSITIONS UTILIZING COMPLEXING AGENT ACTIVATORS L'OREAL, S.A. (FR) 2002-12-04 — — EP disclosed
WO-2001064171-A2 HAIR RELAXER COMPOSITIONS UTILIZING COMPLEXING AGENT ACTIVATORS L'OREAL S.A. (FR) 2001-09-07 — — WO disclosed
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