Nitrilotriacetic Acid

Nitrilotriacetic Acid

SCHEMBL30150827

O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Fe+2].[Zn+2]

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA4 P22748 3/20 0.39
CASP1 P29466 1/20 0.35
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
TSHR P16473 1/20 0.30
DRD1 P21728 1/20 0.30

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
Nitrilotriacetic Acid SCHEMBL244499 0.97 KDM4E (0.52) KDM4EALOX15MAPTSMN1; SMN2CA4
Nitrilotriacetic Acid SCHEMBL5052563 0.97 KDM4E (0.52) KDM4EALOX15MAPTSMN1; SMN2CA4
Nitrilotriacetic Acid SCHEMBL9625156 0.93 KDM4E (0.50) KDM4EALOX15MAPTSMN1; SMN2CA4
Nitrilotriacetic Acid SCHEMBL27081502 0.93 KDM4E (0.50) KDM4EALOX15MAPTSMN1; SMN2CA4
Nitrilotriacetic Acid SCHEMBL9624643 0.93 KDM4E (0.50) KDM4EALOX15MAPTSMN1; SMN2CA4
Nitrilotriacetic Acid SCHEMBL23358712 0.90 KDM4E (0.52) KDM4EALOX15MAPTSMN1; SMN2CA4
Nitrilotriacetic Acid SCHEMBL3482707 0.90 KDM4E (0.52) KDM4EALOX15MAPTSMN1; SMN2CA4
Nitrilotriacetic Acid SCHEMBL7458702 0.90 KDM4E (0.52) KDM4EALOX15MAPTSMN1; SMN2CA4
Nitrilotriacetic Acid SCHEMBL11684108 0.90 KDM4E (0.52) KDM4EALOX15MAPTSMN1; SMN2CA4
Nitrilotriacetic Acid SCHEMBL10890157 0.90 KDM4E (0.52) KDM4EALOX15MAPTSMN1; SMN2CA4

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
CN-115548335-A Hierarchical porous Fe 7 S 8 Preparation method and application of/nitrogen-doped carbon composite nanowire 浙江理工大学 2022-12-30 CN claimed
CN-115548335-A Hierarchical porous Fe 7 S 8 Preparation method and application of/nitrogen-doped carbon composite nanowire 浙江理工大学 2022-12-30 CN disclosed