Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1404110

CCC(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cl.[Ni]

nearest known ligand 0.37

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 Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 2/20 0.31
ESR2 known ✓ Q92731 2/20 0.31
GAA known ✓ P10253 1/20 0.30
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
MIF P14174 1/20 0.34
TP53 P04637 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
TRPA1 O75762 1/20 0.31
KCNN4 O15554 1/20 0.31
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4738364 0.98 LMNA (0.38) LMNATDP1CYP3A4MIFTP53
Hydrochloric Acid SCHEMBL6058391 0.98 LMNA (0.38) LMNATDP1CYP3A4MIFTP53
Hydrochloric Acid SCHEMBL1898172 0.95 LMNA (0.37) LMNATDP1CYP3A4MIFTP53
SCHEMBL115575 0.95 LMNA (0.39) LMNATDP1CYP3A4MIFTP53
SCHEMBL15295495 0.93 LMNA (0.38) LMNATDP1CYP3A4MIFTP53
SCHEMBL14693766 0.93 LMNA (0.38) LMNATDP1CYP3A4MIFTP53
Hydrochloric Acid SCHEMBL1404111 0.91 LMNA (0.37) LMNATDP1CYP3A4MIFTP53
Bromide SCHEMBL5527408 0.91 LMNA (0.37) LMNATDP1CYP3A4MIFTP53
Hydrochloric Acid SCHEMBL1898174 0.91 LMNA (0.37) LMNATDP1CYP3A4MIFTP53
SCHEMBL7097256 0.89 LMNA (0.35) LMNATDP1CYP3A4MIFTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291427-B1 SULFONATED POLYTHIOPHENES COMPRISING FUSED RING REPEAT UNITS SOLVAY USA INC (US) 2016-03-30 EP disclosed
US-8906520-B2 Sulfonated polythiophenes comprising fused ring repeat units SOLVAY USA, INC. (US) 2014-12-09 US disclosed
US-8476474-B2 Asymmetric styryl derivatives and organic light emitting diode prepared using the same DOOSAN CORPORATION (KR) 2013-07-02 US disclosed
US-20110147725-A1 SULFONATED POLYTHIOPHENES COMPRISING FUSED RING REPEAT UNITS PLEXTRONICS, INC. 2011-06-23 US disclosed
EP-2291427-A2 SULFONATED POLYTHIOPHENES COMPRISING FUSED RING REPEAT UNITS Plextronics, Inc. (US) 2011-03-09 EP disclosed
US-20100081846-A1 ASYMMETRIC STYRYL DERIVATIVES AND ORGANIC LIGHT EMITTING DIODE PREPARED USING THE SAME DOOSAN CORPORATION (KR) 2010-04-01 US disclosed
WO-2009152165-A2 SULFONATED POLYTHIOPHENES COMPRISING FUSED RING REPEAT UNITS PLEXTRONICS, INC. (US) 2009-12-17 WO disclosed
US-20090227748-A1 Process for Preparing Olff in Polymers in the Presence of Catalyst Systems Having Photochromic Groups BASELL POLYOLEFINE GMBH (DE) 2009-09-10 US disclosed
EP-1633729-B1 SULPHONAMIDE COMPOUNDS THAT MODULATE CHEMOKINE RECEPTOR ACTIVITY (CCR4) ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
EP-1070713-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2006-10-18 EP disclosed
US-20060122195-A1 Sulphonamide compounds that modulate chemokine receptor activity (ccr4) ASTRAZENECA AB (SE) 2006-06-08 US disclosed
US-6335447-B1 BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 2002-01-01 US disclosed
EP-1070713-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-01-24 EP disclosed
EP-0074008-B1 PROCESS FOR PRODUCING ALPHA-ARYLALKANOIC ACID ESTERS TAISHO PHARMACEUTICAL CO. LTD (JP) 1984-10-10 EP disclosed
EP-0074008-A2 Process for producing alpha-arylalkanoic acid esters TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-03-16 EP 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-20100081846-A1 ASYMMETRIC STYRYL DERIVATIVES AND ORGANIC LIGHT EMITTING DIODE PREPARED USING THE SAME ELOVL1, EML4, ACSL1 ESR1 255/4885ESR2 326/4885GAA 3346/4885
US-20060122195-A1 Sulphonamide compounds that modulate chemokine receptor activity (ccr4) CCR4, CCR1, CCR3 ESR1 1849/4885ESR2 1216/4885GAA 4271/4885
US-20090227748-A1 Process for Preparing Olff in Polymers in the Presence of Catalyst Systems Having Photochromic Groups RTF1, POF1B, RTF2 ESR1 4033/4885ESR2 3576/4885GAA 4760/4885

“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.