Nitrilotriacetic Acid

Nitrilotriacetic Acid

SCHEMBL31218367

[2H]OC(=O)CN(CC(=O)O[2H])CC(=O)O[2H]

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
EYA2 O00167 1/20 0.45
APP P05067 1/20 0.45
ACE P12821 1/20 0.45
BLM P54132 2/20 0.43
PMP22 Q01453 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
ALOX15 P16050 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
Bicine SCHEMBL31196704 0.81 KDM4E (0.46) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL20409 0.74 TDP1 (0.73) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL8463064 0.74 TDP1 (0.73) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL670055 0.74 TDP1 (0.73) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL9771757 0.74 TDP1 (0.73) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL23358713 0.72 TDP1 (0.69) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL9082448 0.72 TDP1 (0.69) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL9064058 0.72 TDP1 (0.69) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL43737 0.72 TDP1 (0.69) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL22716358 0.72 TDP1 (0.69) TDP1EYA2APPACEBLM

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
CN-119144669-A Non-sterilization fermentation medium and fermentation method of clostridium tyrobutyricum 南京工业大学 2024-12-17 CN claimed
CN-119162047-A Method for in-vitro culture of human intestinal microflora 宁波东方理工大学(暂名) 2024-12-20 CN disclosed
CN-119144669-A Non-sterilization fermentation medium and fermentation method of clostridium tyrobutyricum 南京工业大学 2024-12-17 CN disclosed