Hydrochloric Acid

Hydrochloric Acid

SCHEMBL341117

CCCCCCCCCCCCCCCCCC(=O)C(C)(N)C(=O)CCCCCCCCCCCCCCCCC.Cl.Cl.N

nearest known ligand 0.55

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
▸ PPARG known ✓ P37231 5/20 0.46
▸ HDAC11 known ✓ Q96DB2 4/20 0.46
▸ ESR1 known ✓ P03372 1/20 0.46
▸ PDE4A known ✓ P27815 1/20 0.46
▸ PDE3A known ✓ Q14432 1/20 0.46
▸ FAAH O00519 8/20 0.55
▸ CES1 P23141 8/20 0.55
▸ CES2 O00748 5/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ PPARD Q03181 5/20 0.46
▸ PPARA Q07869 5/20 0.46
▸ TSHR P16473 3/20 0.46
▸ GPR84 Q9NQS5 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TLR2 O60603 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ FABP4 P15090 2/20 0.46

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
SCHEMBL28518782 0.96 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL15189915 0.96 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL27809919 0.86 FAAH (0.53) FAAHCES1CES2MEN1KMT2A
SCHEMBL27499818 0.86 FAAH (0.53) FAAHCES1CES2MEN1KMT2A
SCHEMBL27518625 0.86 FAAH (0.53) FAAHCES1CES2MEN1KMT2A
SCHEMBL27778113 0.86 FAAH (0.53) FAAHCES1CES2MEN1KMT2A
SCHEMBL27499819 0.86 FAAH (0.53) FAAHCES1CES2MEN1KMT2A
SCHEMBL27606031 0.86 FAAH (0.53) FAAHCES1CES2MEN1KMT2A
SCHEMBL27455275 0.86 FAAH (0.53) FAAHCES1CES2MEN1KMT2A
Hydrochloric Acid SCHEMBL30656537 0.85 FAAH (0.57) FAAHCES1CES2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3459520-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2019-03-27 — — EP disclosed
US-8268014-B2 Hair dyeing composition BASF SE Ludwigshafen (DE) 2012-09-18 — — US disclosed
US-8257448-B2 Hair dyeing composition BASF SE (DE) 2012-09-04 — — US disclosed
US-20120017931-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2012-01-26 — — US disclosed
US-20120012128-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2012-01-19 — — 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 (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-20120012128-A1 HAIR DYEING COMPOSITION CYC1, CYB5R3, TYR PPARG 4149/4885HDAC11 415/4885ESR1 2187/4885
US-20120017931-A1 HAIR DYEING COMPOSITION CYB5R3, CYC1, CYCS PPARG 3830/4885HDAC11 1229/4885ESR1 2461/4885

“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.

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