Trientine

Trientine

SCHEMBL9401728

CN(C)Cc1ccc(O)c(CN(C)C)c1.NCCNCCNCCN

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
G6PD P11413 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.45
BACE1 P56817 1/20 0.44
SIGMAR1 Q99720 2/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL29405336 0.83 ALDH1A1 (0.64) CYP2C9ALOX15HSD17B10ALDH1A1GAA
SCHEMBL1698928 0.83 ALDH1A1 (0.64) CYP2C9ALOX15HSD17B10ALDH1A1GAA
Trientine SCHEMBL27851402 0.81 CA12 (0.49) CYP2C9HSD17B10ALDH1A1GAAKDM4E
SCHEMBL25118440 0.80 ALDH1A1 (0.50) CYP2C9ALOX15HSD17B10ALDH1A1GAA
SCHEMBL11049304 0.75 BACE1 (0.58) CYP2C9ALOX15HSD17B10ALDH1A1GAA
SCHEMBL14262450 0.75 ALDH1A1 (0.52) CYP2C9ALOX15HSD17B10ALDH1A1GAA
SCHEMBL15774750 0.73 POLB (0.59) CYP2C9ALOX15HSD17B10ALDH1A1GAA
SCHEMBL3711190 0.73 KDM4E (0.51) CYP2C9ALOX15HSD17B10ALDH1A1GAA
SCHEMBL28854201 0.72 GABRA1 (0.40) CYP2C9ALOX15HSD17B10ALDH1A1GAA
SCHEMBL21373959 0.71 MEN1 (0.49) CYP2C9ALOX15HSD17B10ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5340888-A Curable mixture of phenolic novolak resin, esterified phenolic compound and base; for foundry molds, cores BORDEN INC. (US) 1994-08-23 US disclosed