Hydrochloric Acid

Hydrochloric Acid

SCHEMBL820585

Cc1ccc(N2C=CN(c3ccc(C)cc3)C2)cc1.Cl

nearest known ligand 0.41

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 20)

geneUniProtsupporting neighboursconfidence
ADRB1 known ✓ P08588 1/20 0.40
ACHE known ✓ P22303 1/20 0.40
GAA known ✓ P10253 1/20 0.34
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
MGLL Q99685 1/20 0.38
HTT P42858 1/20 0.37
ALOX5 P09917 1/20 0.35
TSHR P16473 2/20 0.35
NOTUM Q6P988 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL223853 0.97 MAPT (0.42) MAPTTDP1NPSR1LMNAL3MBTL1
SCHEMBL27868503 0.89 LMNA (0.42) MAPTTDP1NPSR1LMNAL3MBTL1
SCHEMBL27196390 0.84 MAPT (0.42) MAPTTDP1NPSR1LMNAL3MBTL1
SCHEMBL27975060 0.82 MAPT (0.41) MAPTTDP1NPSR1LMNAL3MBTL1
SCHEMBL27894883 0.82 ALDH1A1 (0.59) ELANEADRB1ACHEKDM4EALDH1A1
SCHEMBL13490255 0.80 NPSR1 (0.40) MAPTTDP1NPSR1LMNAL3MBTL1
SCHEMBL27984044 0.79 ALDH1A1 (0.35) MAPTTDP1NPSR1LMNAL3MBTL1
Bromide SCHEMBL1884091 0.78 ALDH1A1 (0.34) MAPTTDP1NPSR1LMNAL3MBTL1
SCHEMBL27779616 0.76 GAA (0.52) MAPTTDP1NPSR1CTSGCMA1
Hydrochloric Acid SCHEMBL3940286 0.75 LMNA (0.40) MAPTLMNAF2ELANEADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2574187-B1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME AMYRIS INC (US) 2019-09-11 EP disclosed
US-8586814-B2 Squalane and isosqualane compositions and methods for preparing the same Amyris, Inc. (US) 2013-11-19 US disclosed
EP-2574187-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris Biotechnologies, Inc. (US) 2013-04-03 EP disclosed
WO-2011146837-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris, Inc. (US) 2011-11-24 WO disclosed
US-20110287988-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME EUAGORE, LLC 2011-11-24 US disclosed
US-7964758-B2 Process for production of 2-(substituted phenyl)-3,3,3-trifluoropropene compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-21 US disclosed
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-24 US disclosed
EP-0521870-B1 PREPARATION OF 1,3-DISUBSTITUTED IMIDAZOLIUM SALTS UNIV ALABAMA (US) 2004-07-21 EP disclosed
US-5182405-A Preparation of 1,3-disubstituted imidazolium salts E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-26 US disclosed
EP-0521870-A1 PREPARATION OF 1,3-DISUBSTITUTED IMIDAZOLIUM SALTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-13 EP disclosed
US-5077414-A PREPARATION OF 1,3-DISUBSTITUTED IMIDAZOLIUM SALTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-31 US disclosed
WO-1991014678-A1 PREPARATION OF 1,3-DISUBSTITUTED IMIDAZOLIUM SALTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-03 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 (2 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-20110287988-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME SQLE, FDFT1, COASY ADRB1 1432/4885ACHE 63/4885GAA 689/4885
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound PEX3, SCO2, LPO ADRB1 2892/4885ACHE 4021/4885GAA 3727/4885

“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.