Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9178593

CCCCCCCCCCC(CCCCCCCC)CNCC(CCCCCCCC)CCCCCCCCCC.Cl

nearest known ligand 0.62

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
LCK known ✓ P06239 1/20 0.40
OPRM1 known ✓ P35372 1/20 0.39
TSHR P16473 3/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP3A4 P08684 1/20 0.62
LMNA P02545 1/20 0.52
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
DNM1 Q05193 2/20 0.40
THRB P10828 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
KDM4E B2RXH2 1/20 0.40
FDPS P14324 3/20 0.37
GPR84 Q9NQS5 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37

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
SCHEMBL965573 0.97 TSHR (0.65) TSHRALDH1A1CYP3A4LMNAADH1B
SCHEMBL965056 0.97 TSHR (0.65) TSHRALDH1A1CYP3A4LMNAADH1B
SCHEMBL965893 0.97 TSHR (0.65) TSHRALDH1A1CYP3A4LMNAADH1B
SCHEMBL10411852 0.95 ALDH1A1 (0.70) TSHRALDH1A1CYP3A4LMNAADH1B
SCHEMBL9361148 0.95 ALDH1A1 (0.70) TSHRALDH1A1CYP3A4LMNAADH1B
SCHEMBL15057305 0.93 ALDH1A1 (0.60) TSHRALDH1A1CYP3A4LMNAADH1B
SCHEMBL16236848 0.93 ALDH1A1 (0.60) TSHRALDH1A1CYP3A4LMNAADH1B
SCHEMBL16237314 0.92 ALDH1A1 (0.73) TSHRALDH1A1CYP3A4LMNAADH1B
SCHEMBL16236793 0.91 ALDH1A1 (0.64) TSHRALDH1A1CYP3A4LMNAADH1B
SCHEMBL277614 0.90 ALDH1A1 (0.62) TSHRALDH1A1CYP3A4LMNAADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0312992-B1 HAIRDRESSING COMPOSITION Kao Corporation (JP) 1992-05-13 EP claimed
US-4910013-A Branched alkyl quaternary ammonium salt KAO CORPORATION (JP) 1990-03-20 US claimed
EP-0312992-A2 Hairdressing composition Kao Corporation (JP) 1989-04-26 EP claimed
EP-0392320-B1 Shampoo composition KAO CORP (JP) 1995-07-05 EP disclosed
EP-0314141-B1 Detergent composition KAO CORP (JP) 1995-05-10 EP disclosed
US-5211883-A Amidoamine type amphoteric surfactant, a modified silicone and a specific polymer KAO CORPORATION (JP) 1993-05-18 US disclosed
EP-0242792-B1 HAIR COSMETIC COMPOSITION Kao Corporation (JP) 1992-07-22 EP disclosed
EP-0312992-B1 HAIRDRESSING COMPOSITION Kao Corporation (JP) 1992-05-13 EP disclosed
EP-0181547-B1 HAIR COSMETIC COMPOSITION Kao Corporation (JP) 1992-01-22 EP disclosed
US-5077041-A Amidoamine amphoteric surfactant, modified silicone polymer, cationic polymer KAO CORPORATION (JP) 1991-12-31 US disclosed
EP-0392320-A2 Shampoo composition KAO CORPORATION (JP) 1990-10-17 EP disclosed
US-4931216-A HAIR CONDITIONING SHAMPOO; WASHING WOOL FIBERS KAO CORPORATION (JP) 1990-06-05 US disclosed
US-4910013-A Branched alkyl quaternary ammonium salt KAO CORPORATION (JP) 1990-03-20 US disclosed
EP-0314141-A2 Detergent composition Kao Corporation (JP) 1989-05-03 EP disclosed
EP-0312992-A2 Hairdressing composition Kao Corporation (JP) 1989-04-26 EP disclosed
US-4711776-A BRANCHED QUARTERNARY AMMONIUM SALT AND OIL OR FAT KAO CORPORATION (JP) 1987-12-08 US disclosed
EP-0242792-A2 Hair cosmetic composition Kao Corporation (JP) 1987-10-28 EP disclosed
EP-0181547-A2 Hair cosmetic composition Kao Corporation (JP) 1986-05-21 EP disclosed