Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3268024

Cl.Cl.c1ccc(-c2cncc(N3CCNCC3)c2)cc1

nearest known ligand 0.86

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 18)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 3/20 0.64
HTR7 known ✓ P34969 3/20 0.64
CHRNB4 known ✓ P30926 1/20 0.58
CHRNA3 known ✓ P32297 1/20 0.58
HTR3E known ✓ A5X5Y0 1/20 0.53
HTR3B known ✓ O95264 1/20 0.53
ADRB1 known ✓ P08588 1/20 0.53
HTR3A known ✓ P46098 1/20 0.53
HTR3D known ✓ Q70Z44 1/20 0.53
HTR3C known ✓ Q8WXA8 1/20 0.53
SIGMAR1 known ✓ Q99720 1/20 0.53
ACVR1 known ✓ Q04771 1/20 0.50
CHRNA1 known ✓ P02708 1/20 0.50
CHRNA7 known ✓ P36544 1/20 0.50
CHRNB2 P17787 4/20 0.55
CHRNA4 P43681 4/20 0.55
TGFBR1 P36897 2/20 0.52
ACVR1B P36896 1/20 0.50

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
SCHEMBL3453352 0.98 HTR1A (0.66) HTR1AHTR7CHRNB4CHRNA3CHRNB2
SCHEMBL6350059 0.93 CHRNB2 (0.61) HTR1AHTR7CHRNB4CHRNA3CHRNB2
Fumaric Acid SCHEMBL27454235 0.88 HTR1A (0.54) HTR1AHTR7CHRNB4CHRNA3CHRNB2
SCHEMBL6348853 0.86 CHRNB2 (0.61) HTR1AHTR7CHRNB2CHRNA4
SCHEMBL6351651 0.86 ADRB2 (0.61) CHRNB2CHRNA4TGFBR1ACVR1BACVR1
SCHEMBL22236832 0.83 CHRNB2 (0.67) HTR1AHTR7CHRNB2CHRNA4HTR3E
SCHEMBL22236804 0.83 TGFBR1 (0.58) HTR1AHTR7CHRNB2CHRNA4ADRB1
SCHEMBL18790712 0.83 HTR1A (0.64) HTR1AHTR7CHRNB4CHRNA3CHRNB2
SCHEMBL27682504 0.83 HTR7 (0.51) HTR1AHTR7CHRNB4CHRNA3CHRNB2
SCHEMBL6352432 0.81 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101981010-A Amide compound TAKEDA PHARMACEUTICAL 2011-02-23 CN disclosed
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 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-20100234389-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA HTR1A 1025/4885HTR7 1437/4885CHRNB4 1839/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA HTR1A 1025/4885HTR7 1437/4885CHRNB4 1839/4885

“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.