Trientine

Trientine

SCHEMBL506113

Cl.Cl.Cl.NCCNCCNCCN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Trientine. 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
CA2 known ✓ P00918 4/20 0.92
ESR1 known ✓ P03372 1/20 0.45
KDM4E B2RXH2 1/20 1.00
CA12 O43570 5/20 0.92
CA6 P23280 5/20 0.92
CA7 P43166 5/20 0.92
CA9 Q16790 5/20 0.92
CA14 Q9ULX7 5/20 0.92
CA5B Q9Y2D0 5/20 0.92
CA4 P22748 4/20 0.92
CA5A P35218 4/20 0.92
LMNA P02545 3/20 0.92
TDP1 Q9NUW8 3/20 0.92
CA3 P07451 3/20 0.92
ALOX15 P16050 3/20 0.92
CA1 P00915 2/20 0.92
ALDH1A1 P00352 1/20 0.92
TP53 P04637 1/20 0.92
MEN1 O00255 2/20 0.83
RECQL P46063 2/20 0.83

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
Hydrochloric Acid SCHEMBL28797750 1.00 KDM4E (1.00) KDM4ECA12CA6CA7CA9
Hydrochloric Acid SCHEMBL285388 1.00 KDM4E (1.00) KDM4ECA12CA6CA7CA9
Hydrochloric Acid SCHEMBL284758 1.00 KDM4E (1.00) KDM4ECA12CA6CA7CA9
Trientine SCHEMBL2027642 1.00 KDM4E (1.00) KDM4ECA12CA6CA7CA9
Trientine SCHEMBL205201 1.00 KDM4E (1.00) KDM4ECA12CA6CA7CA9
Trientine SCHEMBL505712 1.00 KDM4E (1.00) KDM4ECA12CA6CA7CA9
Trientine SCHEMBL506189 1.00 KDM4E (1.00) KDM4ECA12CA6CA7CA9
Hydrochloric Acid SCHEMBL1625351 1.00 KDM4E (1.00) KDM4ECA12CA6CA7CA9
Hydrochloric Acid SCHEMBL1626082 1.00 KDM4E (1.00) KDM4ECA12CA6CA7CA9
Hydrochloric Acid SCHEMBL28797761 1.00 KDM4E (1.00) KDM4ECA12CA6CA7CA9

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110448994-B Process method for trapping NO by using renewable amino functional eutectic solvent 北京化工大学 2022-08-05 CN claimed
US-11795150-B2 Synthesis of triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2023-10-24 US disclosed
CN-112055712-B Methods and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2023-07-14 CN disclosed
CN-110448994-B Process method for trapping NO by using renewable amino functional eutectic solvent 北京化工大学 2022-08-05 CN disclosed
US-20200148647-A1 Synthesis of Triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2020-05-14 US disclosed
US-20170226064-A1 Synthesis of Triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2017-08-10 US disclosed
US-9556123-B2 Synthesis of triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2017-01-31 US disclosed
US-20160102060-A1 Synthesis of Triethylenetetramines PROTEMIX CORPORATION LIMITED (NZ) 2016-04-14 US disclosed
US-20150057466-A1 Synthesis of Triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2015-02-26 US disclosed
US-8912362-B2 Synthesis of triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2014-12-16 US disclosed
US-8067641-B2 Synthesis of triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2011-11-29 US disclosed
US-20100173994-A1 Synthesis of triethylenetetramines PROTEMIX CORPORATION LIMITED (NZ) 2010-07-08 US disclosed
US-7582796-B2 starting the reaction of alkylating ethylenediamine with formaldehyde to form pure triethylenetetramine; salt formation of triethylenetetramine disuccinate or triethylenetetramine tetrahydrochloride PROTEMIX CORPORATION LIMITED (NZ) 2009-09-01 US disclosed
EP-1778618-A4 SYNTHESIS OF TRIETHYLENETETRAMINES PROTEMIX CORP LTD (NZ) 2008-07-16 EP disclosed
EP-1778618-A2 SYNTHESIS OF TRIETHYLENETETRAMINES Protemix Corporation Limited (NZ) 2007-05-02 EP disclosed
EP-1694317-A1 COPPER ANTAGONIST COMPOUNDS Protemix Corporation Limited (NZ) 2006-08-30 EP disclosed
WO-2006027705-A2 SYNTHESIS OF TRIETHYLENETETRAMINES PROTEMIX CORPORATION LIMITED (NZ) 2006-03-16 WO disclosed
US-20060041170-A1 starting the reaction of alkylating ethylenediamine with formaldehyde to form pure triethylenetetramine; salt formation of triethylenetetramine disuccinate or triethylenetetramine tetrahydrochloride PHILERA NEW ZEALAND LIMITED (NZ) 2006-02-23 US disclosed
US-20050159364-A1 Copper antagonist compounds PROTEMIX CORPORATION LIMITED (NZ) 2005-07-21 US disclosed
WO-2005058294-A1 COPPER ANTAGONIST COMPOUNDS PROTEMIX CORPORATION LIMITED (NZ) 2005-06-30 WO 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 (8 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-11795150-B2 Synthesis of triethylenetetramines PNMT, TES, TPR CA2 4784/4885ESR1 910/4885KDM4E 1025/4885
US-20160102060-A1 Synthesis of Triethylenetetramines PNMT, TES, TPR CA2 4784/4885ESR1 910/4885KDM4E 1025/4885
US-20170226064-A1 Synthesis of Triethylenetetramines PNMT, TES, TPR CA2 4784/4885ESR1 910/4885KDM4E 1025/4885
US-20050159364-A1 Copper antagonist compounds SOD1, CLN6, SOD3 CA2 1853/4885ESR1 3090/4885KDM4E 4129/4885
US-20150057466-A1 Synthesis of Triethylenetetramines PNMT, TES, TPR CA2 4784/4885ESR1 910/4885KDM4E 1025/4885
US-20200148647-A1 Synthesis of Triethylenetetramines PNMT, TES, TPR CA2 4784/4885ESR1 910/4885KDM4E 1025/4885
US-20060041170-A1 starting the reaction of alkylating ethylenediamine with formaldehyde to form pure triethylenetetramine; salt formation of triethylenetetramine disuccinate or triethylenetetramine tetrahydrochloride TET1, TET2, TET3 CA2 2607/4885ESR1 1845/4885KDM4E 248/4885
US-20100173994-A1 Synthesis of triethylenetetramines PNMT, TES, TPR CA2 4784/4885ESR1 910/4885KDM4E 1025/4885

“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.