Nitrilotriacetic Acid

Nitrilotriacetic Acid

SCHEMBL986873

CN1C(C)(C)CC(=O)CC1(C)C.CN1C(C)(C)CC(=O)CC1(C)C.CN1C(C)(C)CC(=O)CC1(C)C.O=C(O)CN(CC(=O)O)CC(=O)O

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CYP2C19 P33261 3/20 0.37
NFKB1 P19838 1/20 0.37
TDP1 Q9NUW8 3/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
ALOX15 P16050 3/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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 SCHEMBL987120 0.93 TDP1 (0.47) TSHRCYP2C19NFKB1TDP1EYA2
Pentetic Acid SCHEMBL987175 0.92 TDP1 (0.48) TSHRCYP2C19NFKB1TDP1EYA2
Nitrilotriacetic Acid SCHEMBL984675 0.86 TDP1 (0.35) TSHRCYP2C19TDP1EYA2APP
Nitrilotriacetic Acid SCHEMBL15163060 0.86 TDP1 (0.35) TSHRCYP2C19TDP1EYA2APP
Edetic Acid SCHEMBL988387 0.79 TDP1 (0.47) TSHRCYP2C19TDP1EYA2APP
Edetic Acid SCHEMBL1232564 0.79 TDP1 (0.47) TSHRCYP2C19TDP1EYA2APP
Edetic Acid SCHEMBL1232602 0.79 TDP1 (0.47) TSHRCYP2C19TDP1EYA2APP
Edetic Acid SCHEMBL1233003 0.79 TDP1 (0.47) TSHRCYP2C19TDP1EYA2APP
Pentetic Acid SCHEMBL987402 0.78 TDP1 (0.48) TSHRCYP2C19TDP1EYA2APP
SCHEMBL578932 0.78 GAA (0.35) TSHRCYP2C19NFKB1GAAMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US claimed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO claimed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US claimed
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US disclosed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO disclosed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US disclosed