Nitrilotriacetic Acid

Nitrilotriacetic Acid

SCHEMBL9066282

O=C(O)CCN(CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O.O=C(O)CN(CC(=O)O)CC(=O)O

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.65
EYA2 O00167 1/20 0.65
APP P05067 1/20 0.65
ACE P12821 1/20 0.65
LMNA P02545 4/20 0.62
PMP22 Q01453 3/20 0.62
TSHR P16473 3/20 0.62
BLM P54132 2/20 0.62
ALOX15 P16050 2/20 0.62
CYP2C19 P33261 2/20 0.62
KDM4E B2RXH2 2/20 0.62
CHRM2 P08172 1/20 0.62
ADRA2A P08913 1/20 0.62
DRD1 P21728 1/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
DRD3 P35462 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62

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
SCHEMBL21412890 0.95 TDP1 (0.74) TDP1EYA2APPACELMNA
SCHEMBL11636902 0.95 TDP1 (0.74) TDP1EYA2APPACELMNA
SCHEMBL29223102 0.95 LMNA (0.70) TDP1EYA2APPACELMNA
SCHEMBL14315915 0.95 TDP1 (0.74) TDP1EYA2APPACELMNA
SCHEMBL10338095 0.92 LMNA (0.74) TDP1EYA2APPACELMNA
SCHEMBL2805867 0.92 LMNA (0.74) TDP1EYA2APPACELMNA
SCHEMBL13198811 0.90 TDP1 (0.79) TDP1EYA2APPACELMNA
SCHEMBL8663727 0.90 TDP1 (0.79) TDP1EYA2APPACELMNA
Water SCHEMBL4058718 0.90 LMNA (0.70) TDP1EYA2APPACELMNA
SCHEMBL562831 0.89 LMNA (0.68) TDP1EYA2APPACELMNA

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
WO-1996002601-A1 SOLID BLEACH ACTIVATOR COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-02-01 WO disclosed
EP-0693549-A1 Solid bleach activator compositions THE PROCTER & GAMBLE COMPANY (US) 1996-01-24 EP disclosed