Nitrilotriacetic Acid

Nitrilotriacetic Acid

SCHEMBL508415

N=C(N)NN.N=C(N)NN.N=C(N)NN.O=C(O)CN(CC(=O)O)CC(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
EYA2 O00167 1/20 0.46
APP P05067 1/20 0.46
ACE P12821 1/20 0.46
TSHR P16473 3/20 0.44
CYP2C19 P33261 3/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
Malonic Acid SCHEMBL508810 0.79 LDHA (0.53) TSHRCYP2C19KDM4ELMNAKDM5C
Nitrilotriacetic Acid SCHEMBL27683262 0.79 TDP1 (0.61) TDP1EYA2APPACETSHR
Malonic Acid SCHEMBL508612 0.77 LDHA (0.50) TSHRCYP2C19KDM4ELMNAKDM5C
Succinic Acid SCHEMBL28239345 0.77 KDM4E (0.59) TSHRCYP2C19BLMPMP22KDM4E
Pimagedine SCHEMBL507996 0.77 KDM4E (0.40) TSHRCYP2C19KDM4ELMNAKDM5C
Malonic Acid SCHEMBL508611 0.77 LDHA (0.50) TSHRCYP2C19KDM4ELMNAKDM5C
Succinic Acid SCHEMBL30862138 0.77 KDM4E (0.59) TSHRCYP2C19BLMPMP22KDM4E
Pimagedine SCHEMBL9952232 0.76 TSHR (0.50) TDP1TSHRCYP2C19BLMPMP22
Pimagedine SCHEMBL6665719 0.76 TSHR (0.50) TDP1TSHRCYP2C19BLMPMP22
Pimagedine SCHEMBL27784772 0.76 TSHR (0.50) TDP1TSHRCYP2C19BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8425702-B2 Precursor of an explosive composition including at least one ionic liquid and a method of desensitizing an explosive composition ALLIANT TECHSYSTEMS INC. (US) 2013-04-23 US claimed
US-20120024437-A1 PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2012-02-02 US claimed
US-8012277-B2 Mixture with activator; desentization melt ALLIANT TECHSYSTEMS INC. (US) 2011-09-06 US claimed
US-20080251169-A1 IONIC LIQUID, A METHOD OF SYNTHESIZING AN IONIC LIQUID, A PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID, AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2008-10-16 US claimed
US-8425702-B2 Precursor of an explosive composition including at least one ionic liquid and a method of desensitizing an explosive composition ALLIANT TECHSYSTEMS INC. (US) 2013-04-23 US disclosed
US-20120024437-A1 PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2012-02-02 US disclosed
US-8012277-B2 Mixture with activator; desentization melt ALLIANT TECHSYSTEMS INC. (US) 2011-09-06 US disclosed
US-20080251169-A1 IONIC LIQUID, A METHOD OF SYNTHESIZING AN IONIC LIQUID, A PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID, AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2008-10-16 US disclosed