Hydrochloric Acid

Hydrochloric Acid

SCHEMBL578181

CCCCCCCCCCCCCCCCC(c1ccccc1)C(C)(C)N.Cl

nearest known ligand 0.43

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
HTR2A known ✓ P28223 1/20 0.43
MMP1 known ✓ P03956 1/20 0.40
OPRM1 known ✓ P35372 1/20 0.38
OPRD1 known ✓ P41143 1/20 0.38
OPRK1 known ✓ P41145 1/20 0.38
SIGMAR1 known ✓ Q99720 1/20 0.38
SLC2A1 P11166 1/20 0.42
CSNK1E P49674 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MMP2 P08253 4/20 0.40
MMP9 P14780 2/20 0.40
MMP3 P08254 2/20 0.40
ATM Q13315 1/20 0.40
MMP14 P50281 1/20 0.40
OPRL1 P41146 1/20 0.38
NAAA Q02083 2/20 0.38
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 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
Hydrochloric Acid SCHEMBL11128307 1.00 HTR2A (0.43) HTR2ASLC2A1CSNK1EMEN1KMT2A
Hydrochloric Acid SCHEMBL11128285 1.00 HTR2A (0.43) HTR2ASLC2A1CSNK1EMEN1KMT2A
Hydrochloric Acid SCHEMBL11127848 1.00 HTR2A (0.43) HTR2ASLC2A1CSNK1EMEN1KMT2A
Hydrochloric Acid SCHEMBL11127433 1.00 HTR2A (0.43) HTR2ASLC2A1CSNK1EMEN1KMT2A
Hydrochloric Acid SCHEMBL11128833 1.00 HTR2A (0.43) HTR2ASLC2A1CSNK1EMEN1KMT2A
Hydrochloric Acid SCHEMBL11124528 1.00 HTR2A (0.43) HTR2ASLC2A1CSNK1EMEN1KMT2A
SCHEMBL9147002 0.98 HTR2A (0.44) HTR2ASLC2A1CSNK1EMEN1KMT2A
Water SCHEMBL11427333 0.97 HTR2A (0.43) HTR2ASLC2A1CSNK1EMEN1KMT2A
Water SCHEMBL11426010 0.97 HTR2A (0.43) HTR2ASLC2A1CSNK1EMEN1KMT2A
Water SCHEMBL11430588 0.97 HTR2A (0.43) HTR2ASLC2A1CSNK1EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071822-B Organopolysiloxane, cosmetic, and method for producing organopolysiloxane 信越化学工业株式会社 2021-10-22 CN disclosed
EP-3438159-B1 ORGANOPOLYSILOXANE, COSMETIC MATERIAL, AND METHOD FOR PRODUCING ORGANOPOLYSILOXANE SHINETSU CHEMICAL CO (JP) 2021-03-31 EP disclosed
US-10662294-B2 Organopolysiloxane, cosmetics, and method for manufacturing organopolysiloxane SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-05-26 US disclosed
US-20190077920-A1 ORGANOPOLYSILOXANE, COSMETICS, AND METHOD FOR MANUFACTURING ORGANOPOLYSILOXANE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-03-14 US disclosed
EP-3438159-A1 ORGANOPOLYSILOXANE, COSMETIC MATERIAL, AND METHOD FOR PRODUCING ORGANOPOLYSILOXANE Shin-Etsu Chemical Co., Ltd. (JP) 2019-02-06 EP disclosed
US-8912354-B2 Organopolysiloxane and cosmetic containing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-16 US disclosed
EP-2418236-B1 Novel organopolysiloxane and cosmetic containing the same SHINETSU CHEMICAL CO (JP) 2012-11-14 EP disclosed
EP-1607081-B1 COSMETIC PREPARATION KAO CORP (JP) 2012-02-22 EP disclosed
US-20120040931-A1 NOVEL ORGANOPOLYSILOXANE AND COSMETIC CONTAINING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-16 US disclosed
EP-2418236-A1 Novel organopolysiloxane and cosmetic containing the same Shin-Etsu Chemical Co., Ltd. (JP) 2012-02-15 EP disclosed
EP-1607081-A1 COSMETIC PREPARATION Kanebo Cosmetics, Inc. (JP) 2005-12-21 EP disclosed
EP-1481660-A1 Cosmetic Shin-Etsu Chemical Co., Ltd. (JP) 2004-12-01 EP disclosed
EP-1291377-A1 SILICONE COMPOUND AND COSMETIC PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-03-12 EP disclosed
EP-1213006-A1 COSMETICS KANEBO, LTD. (JP) 2002-06-12 EP disclosed
US-4374042-A QUATERNARY AMMONIUM COMPOUND AND AN ORGANIC IONIC COMPOUND UOP INC. (US) 1983-02-15 US disclosed
US-4308169-A TREATMENT WITH AQUEOUS SOLUTION OF QUATERNARY AMMONIUM COMPOUND AND LINEAR IONIC COMPOUND UOP INC. (US) 1981-12-29 US disclosed
US-4299729-A TREATING WITH AN AMMONIACAL SOLUTION OF A METAL CHELATE AND AN AQUEOUS SOLUTION OF A QUATERNARY AMMONIUM COMPOUND UOP INC. (US) 1981-11-10 US disclosed
US-4213877-A Method of reactivating a catalytic composite of an adsorptive carrier material and a mercaptan oxidation catalyst UOP INC. (US) 1980-07-22 US disclosed
US-4203827-A Process for treating sour petroleum distillates UOP INC. (US) 1980-05-20 US disclosed
US-4157312-A QUATERNARY AMMONIUM, METAL CHELATE, SWEETENING UOP INC. (US) 1979-06-05 US 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-20190077920-A1 ORGANOPOLYSILOXANE, COSMETICS, AND METHOD FOR MANUFACTURING ORGANOPOLYSILOXANE PIEZO1, H1-0, TRPA1 HTR2A 225/4885MMP1 656/4885OPRM1 95/4885
US-10662294-B2 Organopolysiloxane, cosmetics, and method for manufacturing organopolysiloxane PIEZO1, H1-0, TRPA1 HTR2A 225/4885MMP1 656/4885OPRM1 95/4885
US-20120040931-A1 NOVEL ORGANOPOLYSILOXANE AND COSMETIC CONTAINING THE SAME F12, FUCA1, H1-0 HTR2A 2041/4885MMP1 1142/4885OPRM1 685/4885

“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.