Nitrilotriacetic Acid

Nitrilotriacetic Acid

SCHEMBL2786138

O=C(O)CN(CC(=O)O)CC(=O)O.O=P(O)(O)C(N(CCN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)CCN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.46
TDP1 Q9NUW8 3/20 0.40
EYA2 O00167 1/20 0.40
APP P05067 1/20 0.40
ACE P12821 1/20 0.40
BLM P54132 3/20 0.39
PMP22 Q01453 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX15 P16050 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
Pentetic Acid SCHEMBL11176016 0.93 TDP1 (0.50) FDPSTDP1EYA2APPACE
SCHEMBL12231173 0.87 TDP1 (0.54) FDPSTDP1EYA2APPACE
SCHEMBL62120 0.84 FDPS (0.60) FDPSKDM4EHSD17B10
SCHEMBL6740726 0.84 FDPS (0.60) FDPSKDM4EHSD17B10
SCHEMBL10945040 0.84 FDPS (0.60) FDPSKDM4EHSD17B10
SCHEMBL6428955 0.84 TDP1 (0.52) FDPSTDP1EYA2APPACE
SCHEMBL1131662 0.82 FDPS (0.58) FDPS
Ammonia Solution, Strong SCHEMBL3285845 0.82 FDPS (0.58) FDPS
SCHEMBL729470 0.81 FDPS (0.50) FDPSTDP1EYA2APPACE
SCHEMBL12231025 0.80 TDP1 (0.45) FDPSTDP1EYA2APPACE

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
EP-2140928-B1 CLEANING AGENT FOR SEPARATION MEMBRANE, PROCESS FOR PRODUCING THE CLEANING AGENT AND CLEANING METHOD ASAHI KASEI CHEMICALS CORP (JP) 2016-07-20 EP disclosed
US-20100133184-A1 CLEANING AGENT FOR SEPARATION MEMBRANE, PROCESS FOR PREPARING THE CLEANING AGENT, AND CLEANING METHOD ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-06-03 US disclosed
EP-2140928-A1 WASHING AGENT FOR SEPARATION MEMBRANE, PROCESS FOR PRODUCING THE SAME AND METHOD OF WASHING Asahi Kasei Chemicals Corporation (JP) 2010-01-06 EP disclosed