Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3842812

CC(C=CC=Nc1ccccc1)=CNc1ccccc1.Cl

nearest known ligand 0.54

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
CACNA1B known ✓ Q00975 1/20 0.34
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
POLB P06746 2/20 0.34
APBA1 Q02410 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CRHR1 P34998 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13790583 0.98 KMT2A (0.55) KMT2AKDM4ECYP1A2CYP2D6CYP2C9
Water SCHEMBL3909731 0.97 KMT2A (0.54) KMT2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL15132033 0.79 KMT2A (0.45) KMT2AKDM4ECYP2D6CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL3910252 0.76 KMT2A (0.54) KMT2AKDM4ECYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL224806 0.75 KMT2A (0.83) KMT2AKDM4ECYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL224805 0.75 KMT2A (0.83) KMT2AKDM4ECYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10522089 0.75 KMT2A (0.83) KMT2AKDM4ECYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7862302 0.75 KMT2A (0.83) KMT2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL13790518 0.74 KMT2A (0.55) KMT2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL10064564 0.74 KMT2A (0.55) KMT2AKDM4ECYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308480-B1 CYANINE DYES FUJIFILM CORP (JP) 2009-11-11 EP disclosed
US-20090041670-A1 Near Infrared Fluorescent Contrast Agent And Method For Fluorescence Imaging BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-12 US disclosed
US-7473415-B2 Near infrared fluorescent contrast agent and method for fluorescence imaging FUJI PHOTO FILM CO., LTD. (JP) 2009-01-06 US disclosed
EP-1480683-B1 NEAR INFRARED FLUORESCENT CONTRAST AGENT AND METHOD FOR FLUORESCENCE IMAGING FUJIFILM CORP (JP) 2008-05-14 EP disclosed
US-20050226815-A1 Near infrared fluorescent contrast agent and method for fluorescence imaging Aktiengesellschaft, Schering (DE) 2005-10-13 US disclosed
US-6939975-B2 Cyanine dyes FUJI PHOTO FILM CO., LTD. (JP) 2005-09-06 US disclosed
EP-1480683-A2 NEAR INFRARED FLUORESCENT CONTRAST AGENT AND METHOD FOR FLUORESCENCE IMAGING Fuji Photo Film Co. Ltd. (JP) 2004-12-01 EP disclosed
US-20040054192-A1 Cyanine dyes FUJIFILM CORPORATION (JP) 2004-03-18 US disclosed
WO-2003074091-A2 NEAR INFRARED FLUORESCENT CONTRAST AGENT AND METHOD FOR FLUORESCENCE IMAGING FUJI PHOTO FILM CO., LTD. (JP) 2003-09-12 WO disclosed
EP-1308480-A1 CYANINE DYES FUJI PHOTO FILM CO., LTD. (JP) 2003-05-07 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 (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-20090041670-A1 Near Infrared Fluorescent Contrast Agent And Method For Fluorescence Imaging ARG1, F12, CD68 CACNA1B 313/4885KMT2A 2967/4885KDM4E 4096/4885
US-20040054192-A1 Cyanine dyes IK, PYM1, CLIC1 CACNA1B 901/4885KMT2A 595/4885KDM4E 1019/4885

“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.