Nitrilotriacetic Acid

Nitrilotriacetic Acid

SCHEMBL213013

O.O.O.O=C(O)CN(CC(=O)O)CC(=O)O.[NaH]

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Nitrilotriacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 1/20 0.65
DRD3 known ✓ P35462 2/20 0.61
CHRM2 known ✓ P08172 1/20 0.61
ADRA2A known ✓ P08913 1/20 0.61
SLC6A2 known ✓ P23975 1/20 0.61
SLC6A4 known ✓ P31645 1/20 0.61
ADRA1A known ✓ P35348 1/20 0.61
SLC6A3 known ✓ Q01959 1/20 0.61
TDP1 Q9NUW8 3/20 0.65
EYA2 O00167 1/20 0.65
APP P05067 1/20 0.65
TSHR P16473 4/20 0.61
LMNA P02545 3/20 0.61
BLM P54132 2/20 0.61
PMP22 Q01453 2/20 0.61
ALOX15 P16050 2/20 0.61
CYP2C19 P33261 2/20 0.61
KDM4E B2RXH2 1/20 0.61
DRD1 P21728 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61

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
Nitrilotriacetic Acid SCHEMBL10760654 1.00 TDP1 (0.65) TDP1EYA2APPACETSHR
Nitrilotriacetic Acid SCHEMBL213011 1.00 TDP1 (0.65) TDP1EYA2APPACETSHR
Nitrilotriacetic Acid SCHEMBL3739292 1.00 TDP1 (0.65) TDP1EYA2APPACETSHR
Nitrilotriacetic Acid SCHEMBL9129592 1.00 TDP1 (0.65) TDP1EYA2APPACETSHR
Nitrilotriacetic Acid SCHEMBL10760644 1.00 TDP1 (0.65) TDP1EYA2APPACETSHR
Nitrilotriacetic Acid SCHEMBL5386888 1.00 TDP1 (0.65) TDP1EYA2APPACETSHR
Nitrilotriacetic Acid SCHEMBL9064058 0.96 TDP1 (0.69) TDP1EYA2APPACETSHR
Nitrilotriacetic Acid SCHEMBL157958 0.96 TDP1 (0.69) TDP1EYA2APPACETSHR
Nitrilotriacetic Acid SCHEMBL9064053 0.96 TDP1 (0.69) TDP1EYA2APPACETSHR
Nitrilotriacetic Acid SCHEMBL7713868 0.96 TDP1 (0.69) TDP1EYA2APPACETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378365-A1 SOLID DISHMACHINE DETERGENT NOT REQUIRING A SEPARATE RINSE ADDITIVE PLATTE VALLEY BANK OF MISSOURI 2014-12-25 US disclosed
US-8852353-B2 Solid dishmachine detergent not requiring a separate rinse additive PLATTE VALLEY BANK OF MISSOURI 2014-10-07 US disclosed
US-8088419-B2 Sulfur-containing proanthocyanidin oligomer composition and production method thereof AMINO UP CHEMICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-7939116-B2 Sulfur-containing proanthocyanidin oligomer composition and production method thereof AMINO UP CHEMICAL CO., LTD. (JP) 2011-05-10 US disclosed
US-20110028742-A1 SULFUR-CONTAINING PROANTHOCYANIDIN OLIGOMER COMPOSITION AND PRODUCTION METHOD THEREOF AMINO UP CHEMICAL CO., LTD. (JP) 2011-02-03 US disclosed
US-20110021792-A1 SULFUR-CONTAINING PROANTHOCYANIDIN OLIGOMER COMPOSITION AND PRODUCTION METHOD THEREOF AMINO UP CHEMICAL CO., LTD. (JP) 2011-01-27 US disclosed
US-7833553-B2 Sulfur-containing proanthocyanidin oligomer compositon and process for producing the same AMINO UP CHEMICAL CO. LTD. (JP) 2010-11-16 US disclosed
US-20100139705-A1 SOLID DISHMACHINE DETERGENT NOT REQUIRING A SEPARATE RINSE ADDITIVE PLATTE VALLEY BANK OF MISSOURI 2010-06-10 US disclosed
EP-1524270-B1 SULFUR-CONTAINING PROANTHOCYANIDIN OLIGOMER COMPOSITION AND PROCESS FOR PRODUCING THE SAME AMINO UP CHEMICAL CO LTD (JP) 2009-08-26 EP disclosed
US-20050261198-A1 Sulfur-containing proanthocyanidin oligomer compositon and process for producing the same Amino Up Co., Ltd. (JP) 2005-11-24 US disclosed
EP-1524270-A1 SULFUR-CONTAINING PROANTHOCYANIDIN OLIGOMER COMPOSITION AND PROCESS FOR PRODUCING THE SAME AMINO UP CHEMICAL CO. LTD. (JP) 2005-04-20 EP disclosed
US-3962106-A DETERGENTS LEVER BROTHERS COMPANY (US) 1976-06-08 US disclosed
US-3956379-A Process for recovering NTA ETHYL CORPORATION (US) 1976-05-11 US disclosed
US-3941723-A Crystallized alkali metal silicate with sequestering agents PHILADELPHIA QUARTZ COMPANY (US) 1976-03-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050261198-A1 Sulfur-containing proanthocyanidin oligomer compositon and process for producing the same CTH, CBS, PYGB ACE 4075/4885DRD3 3847/4885CHRM2 1981/4885
US-20110021792-A1 SULFUR-CONTAINING PROANTHOCYANIDIN OLIGOMER COMPOSITION AND PRODUCTION METHOD THEREOF CBS, PARK7, CTH ACE 4348/4885DRD3 3613/4885CHRM2 1897/4885
US-20110028742-A1 SULFUR-CONTAINING PROANTHOCYANIDIN OLIGOMER COMPOSITION AND PRODUCTION METHOD THEREOF CBS, PARK7, CTH ACE 4348/4885DRD3 3613/4885CHRM2 1897/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.