Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2889723

CCCNC(=N)NC(=N)N.Cl

nearest known ligand 0.32

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 9)

geneUniProtsupporting neighboursconfidence
MMP1 known ✓ P03956 1/20 0.31
SPHK1 Q9NYA1 3/20 0.32
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
EPHX1 P07099 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL668625 0.98 MMP1 (0.32) SPHK1MMP1MMP2MMP3MMP9
Ammonia Solution, Strong SCHEMBL28256364 0.95 MMP1 (0.31) MMP1MMP2MMP3MMP9EPHX1
Buformin SCHEMBL3644254 0.87 GRIN2D (0.42) SPHK1MMP2EPHX1NOS3NOS1
Buformin SCHEMBL15669256 0.87 GRIN2D (0.42) SPHK1MMP2EPHX1NOS3NOS1
Buformin SCHEMBL6018 0.87 GRIN2D (0.42) SPHK1MMP2EPHX1NOS3NOS1
Buformin SCHEMBL749659 0.87 GRIN2D (0.42) SPHK1MMP2EPHX1NOS3NOS1
Buformin SCHEMBL3455307 0.85 GRIN2D (0.41) SPHK1MMP2EPHX1NOS3NOS1
Buformin SCHEMBL1048416 0.85 GRIN2D (0.41) SPHK1MMP2EPHX1NOS3NOS1
Buformin SCHEMBL22436277 0.85 GRIN2D (0.41) SPHK1MMP2EPHX1NOS3NOS1
Buformin SCHEMBL4656049 0.85 GRIN2D (0.41) SPHK1MMP2EPHX1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296449-A1 Semi-Permanent Hair Straightening Composition And Method LUBRIZOL ADVANCED MATERIALS, INC. 2016-10-13 US claimed
EP-3065831-A1 SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD Lubrizol Advanced Materials, Inc. (US) 2016-09-14 EP claimed
EP-2826461-B1 Method for straightening keratin fibres using a heating means and a denaturing agent ORÉAL L (FR) 2016-06-01 EP claimed
WO-2015069823-A1 SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD LUBRIZOL ADVANCED MATERIALS, INC. (US) 2015-05-14 WO claimed
US-20100284954-A1 PROCESS FOR RELAXING KERATIN FIBRES L'OREAL (FR) 2010-11-11 US claimed
US-20060127337-A1 Process for relaxing keratin fibres L'OREAL (FR) 2006-06-15 US claimed
US-11572341-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2023-02-07 US disclosed
WO-2022181457-A1 WIPE SHEET AND AQUEOUS COMPOSITION FOR IMPREGNATING WIPE SHEET レック株式会社 2022-09-01 WO disclosed
US-11399611-B2 Process for straightening keratin fibres with a heating means and denaturing agents L'OREAL (FR) 2022-08-02 US disclosed
US-10449134-B2 Process for treating keratin fibres with a composition comprising an amino acid L'OREAL (FR) 2019-10-22 US disclosed
US-20190125051-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L'OREAL (FR) 2019-05-02 US disclosed
US-20180042831-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A COMPOSITION COMPRISING AN AMINO ACID L'OREAL (FR) 2018-02-15 US disclosed
EP-3259030-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A COMPOSITION COMPRISING AN AMINO ACID L'OREAL (FR) 2017-12-27 EP disclosed
US-20100028280-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L'OREAL S.A. (FR) 2010-02-04 US disclosed
WO-2008109598-A2 LENS CARE SOLUTIONS FOR USE WITH CONTACT LENSES OR CONTACT LENS CASES THAT CONTAIN SILVER BAUSCH & LOMB INCORPORATED (US) 2008-09-12 WO disclosed
US-20080218686-A1 LENS CARE SOLUTIONS FOR USE WITH CONTACT LENSES OR CONTACT LENS CASES THAT CONTAIN SILVER BAUSCH & LOMB INCORPORATED 2008-09-11 US disclosed
US-20080214421-A1 CONTACT LENS CARE COMPOSITION BAUSCH & LOMB INCORPORATED 2008-09-04 US disclosed
WO-2007146683-A2 OPHTHALMIC COMPOSITIONS COMPRISING A BRANCHED, GLYCEROL MONOALKYL COMPOUND AND A FATTY ACID MONOESTER BAUSCH & LOMB INCORPORATED (US) 2007-12-21 WO disclosed
US-20070286767-A1 Ophthalmic Compositions Comprising a Branched, Glycerol Monoalkyl Compound and a Fatty Acid Monoester BAUSCH & LOMB PHARMA HOLDINGS CORP. 2007-12-13 US disclosed
US-20060127337-A1 Process for relaxing keratin fibres L'OREAL (FR) 2006-06-15 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 (9 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-11399611-B2 Process for straightening keratin fibres with a heating means and denaturing agents KRT18, KRTCAP2, TUBB4A MMP1 686/4885SPHK1 1845/4885MMP2 488/4885
US-20100028280-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS KRT18, KRTCAP2, TUBB4A MMP1 686/4885SPHK1 1845/4885MMP2 488/4885
US-20100284954-A1 PROCESS FOR RELAXING KERATIN FIBRES KRT18, TPM4, MYLK MMP1 371/4885SPHK1 3460/4885MMP2 498/4885
US-11572341-B2 Biguanide compound and use thereof MKI67, GCG, GCKR MMP1 1508/4885SPHK1 1169/4885MMP2 463/4885
US-20160296449-A1 Semi-Permanent Hair Straightening Composition And Method KRT18, PRKDC, DNMT1 MMP1 520/4885SPHK1 1834/4885MMP2 469/4885
US-20190125051-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS KRT18, KRTCAP2, TUBB4A MMP1 686/4885SPHK1 1845/4885MMP2 488/4885
US-20060127337-A1 Process for relaxing keratin fibres KRT18, TPM4, MYLK MMP1 371/4885SPHK1 3460/4885MMP2 498/4885
US-10449134-B2 Process for treating keratin fibres with a composition comprising an amino acid KRT18, OAT, MYOC MMP1 913/4885SPHK1 2206/4885MMP2 2089/4885
US-20180042831-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A COMPOSITION COMPRISING AN AMINO ACID KRT18, OAT, MYOC MMP1 1163/4885SPHK1 2608/4885MMP2 2154/4885

“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.