Sugi Predict

Sugi Predict / Compounds / Nitrilotriacetic Acid

Nitrilotriacetic Acid

Nitrilotriacetic Acid

SCHEMBL986503

CC1(C)CC(O)CC(C)(C)N1.CC1(C)CC(O)CC(C)(C)N1.CC1(C)CC(O)CC(C)(C)N1.O=C(O)CN(CC(=O)O)CC(=O)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.37
▸ EYA2 O00167 1/20 0.37
▸ APP P05067 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ GAA P10253 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35

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 SCHEMBL985337 0.93 TDP1 (0.48) TDP1EYA2APPACEGAA
Pentetic Acid SCHEMBL987206 0.91 TDP1 (0.50) TDP1EYA2APPACEGAA
Succinic Acid SCHEMBL11604469 0.82 GAA (0.39) GAAKDM4EALOX15CYP2C19LMNA
Acetic Acid SCHEMBL987152 0.80 GAA (0.41) GAAKDM4EALOX15TSHRHTT
SCHEMBL29829607 0.79 RECQL (0.40) GAAALOX15LMNAKMT2APOLB
Adipic Acid SCHEMBL11606959 0.79 LMNA (0.42) TDP1APPGAAALOX15LMNA
Glutarate SCHEMBL11605405 0.79 SLC22A6 (0.42) TDP1GAAKDM4EALOX15LMNA
SCHEMBL10744972 0.79 ALOX15 (0.43) TDP1EYA2APPACEGAA
SCHEMBL6568735 0.78 GAA (0.47) TDP1EYA2APPACEGAA
Nitrilotriacetic Acid SCHEMBL986939 0.78 GAA (0.48) GAAKDM4ETSHRHTTKMT2A

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