Hydrochloric Acid

Hydrochloric Acid

SCHEMBL141104

Cc1ccc(C(OCCN(C)C)c2ccc(Br)cc2)cc1.Cl

nearest known ligand 0.75

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
SLC6A2 known ✓ P23975 7/20 0.75
SLC6A4 known ✓ P31645 7/20 0.75
SLC6A3 known ✓ Q01959 7/20 0.75
CHRM2 known ✓ P08172 4/20 0.75
ADRA2A known ✓ P08913 3/20 0.75
CHRM1 known ✓ P11229 3/20 0.75
OPRM1 known ✓ P35372 3/20 0.75
DRD3 known ✓ P35462 3/20 0.75
DRD1 known ✓ P21728 2/20 0.75
HTR1A known ✓ P08908 1/20 0.75
ADRA2B known ✓ P18089 3/20 0.58
HRH1 known ✓ P35367 3/20 0.58
KCNH2 known ✓ Q12809 3/20 0.58
CHRM4 known ✓ P08173 2/20 0.58
CHRM5 known ✓ P08912 2/20 0.58
CHRM3 known ✓ P20309 2/20 0.58
HRH2 known ✓ P25021 2/20 0.58
HTR2A known ✓ P28223 2/20 0.58
HTR2C known ✓ P28335 2/20 0.58
ADRA1A known ✓ P35348 2/20 0.58

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
Di(P-Tolyl)(Dimethylaminoethoxy)Methane SCHEMBL29519554 0.92 LMNA (0.71) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
Bromodiphenhydramine SCHEMBL141831 0.88 SLC6A2 (0.97) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
Bromodiphenhydramine SCHEMBL8510257 0.88 SLC6A2 (0.97) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
Hydrochloric Acid SCHEMBL31097126 0.86 LMNA (0.84) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
Bromodiphenhydramine SCHEMBL29808 0.86 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
Bromodiphenhydramine SCHEMBL29806 0.86 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
SCHEMBL28837 0.84 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
Hydrochloric Acid SCHEMBL29519368 0.78 LMNA (0.84) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
Diphenhydramine SCHEMBL10487818 0.76 LMNA (1.00) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
Diphenhydramine SCHEMBL17071 0.76 LMNA (1.00) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130204238-A1 COMBINATION THERAPY FOLLICA, INC (US) 2013-08-08 US disclosed
EP-2552323-A1 COMBINATION THERAPY Follica, Inc. (US) 2013-02-06 EP disclosed
US-8252749-B2 Methods, kits, and compositions for generating new hair follicles and growing hair FOLLICA, INC. (US) 2012-08-28 US disclosed
US-20120156228-A1 Methods, Kits, and Compositions for Generating New Hair Follicles and Growing Hair FOLLICA, INC. (US) 2012-06-21 US disclosed
WO-2012067630-A1 HAIR GROWTH TREATMENT FOLLICA, INC. (US) 2012-05-24 WO disclosed
WO-2012067631-A1 BODY SURFACE TREATMENT FOLLICA, INC. (US) 2012-05-24 WO disclosed
WO-2012067632-A1 SEQUENTIAL BODY SURFACE TREATMENT FOLLICA, INC. (US) 2012-05-24 WO disclosed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US disclosed
WO-2011123218-A1 COMBINATION THERAPY FOLLICA, INC. (US) 2011-10-06 WO disclosed
EP-1599212-A4 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2006-02-08 EP disclosed
EP-1599212-A2 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2005-11-30 EP disclosed
US-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX INCORPORATED 2005-09-01 US disclosed
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. 2005-06-02 US disclosed
US-20050112199-A1 Therapeutic regimens for administering drug combinations COMBINATORX, INCORPORATED 2005-05-26 US disclosed
WO-2005037203-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-04-28 WO disclosed
WO-2005030132-A2 THERAPEUTIC REGIMENS FOR ADMINISTERING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2005-04-07 WO disclosed
WO-2005027839-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-03-31 WO disclosed
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders COMBINATORX, INCORPORATED 2004-11-11 US disclosed
WO-2004073614-A2 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2004-09-02 WO 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 (5 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-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, CMA1, CCL11 SLC6A2 1883/4885SLC6A4 1836/4885SLC6A3 2839/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 SLC6A2 1019/4885SLC6A4 938/4885SLC6A3 1670/4885
US-20120156228-A1 Methods, Kits, and Compositions for Generating New Hair Follicles and Growing Hair NGF, HDGF, SHH SLC6A2 4668/4885SLC6A4 4392/4885SLC6A3 4681/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP SLC6A2 3188/4885SLC6A4 3269/4885SLC6A3 3683/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP SLC6A2 3188/4885SLC6A4 3269/4885SLC6A3 3683/4885

“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.