Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4696173

CN(N)Cc1ccccc1.Cl.Cl.Cl

nearest known ligand 0.95

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
▸ ADRA2B known ✓ P18089 1/20 0.47
▸ ADRA2C known ✓ P18825 1/20 0.47
▸ SLC6A2 known ✓ P23975 1/20 0.47
▸ HTR2A known ✓ P28223 1/20 0.47
▸ SLC6A4 known ✓ P31645 1/20 0.47
▸ ADRA1A known ✓ P35348 1/20 0.47
▸ OPRK1 known ✓ P41145 1/20 0.47
▸ SLC6A3 known ✓ Q01959 1/20 0.47
▸ KCNH2 known ✓ Q12809 1/20 0.47
▸ MAOA known ✓ P21397 1/20 0.47
▸ MAOB known ✓ P27338 1/20 0.47
▸ CA2 known ✓ P00918 2/20 0.45
▸ AOC3 Q16853 3/20 0.95
▸ TSHR P16473 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ CARM1 Q86X55 1/20 0.54
▸ PRMT6 Q96LA8 1/20 0.54
▸ PRMT8 Q9NR22 1/20 0.54
▸ LMNA P02545 2/20 0.50
▸ BLM P54132 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
Hydrochloric Acid SCHEMBL11186055 1.00 AOC3 (0.95) AOC3TSHRALDH1A1CARM1PRMT6
Bromide SCHEMBL28239009 0.98 AOC3 (0.91) AOC3TSHRALDH1A1CARM1PRMT6
SCHEMBL1164941 0.97 AOC3 (1.00) AOC3TSHRALDH1A1CARM1PRMT6
SCHEMBL1793814 0.97 AOC3 (1.00) AOC3TSHRALDH1A1CARM1PRMT6
Ammonia Solution, Strong SCHEMBL28459179 0.95 AOC3 (0.95) AOC3TSHRALDH1A1CARM1PRMT6
Hydrazine SCHEMBL28353884 0.95 AOC3 (0.95) AOC3TSHRALDH1A1CARM1PRMT6
SCHEMBL11750385 0.84 AOC3 (0.75) AOC3TSHRALDH1A1CARM1PRMT6
Hydrochloric Acid SCHEMBL8743641 0.79 TSHR (0.94) AOC3TSHRALDH1A1CARM1PRMT6
Hydrochloric Acid SCHEMBL11779718 0.79 AOC3 (0.61) AOC3TSHRALDH1A1CARM1PRMT6
Hydrochloric Acid SCHEMBL28352413 0.79 TSHR (0.94) AOC3TSHRALDH1A1CARM1PRMT6

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
US-20080103163-A1 Antipruritics OYAMA TATSUYA 2008-05-01 — — US disclosed
EP-1340748-B1 QUINAZOLINE DERIVATIVES AND DRUGS NIPPON SHINYAKU CO LTD (JP) 2008-01-16 — — EP disclosed
US-20040034044-A1 Quinazoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2004-02-19 — — US disclosed
EP-1340748-A1 QUINAZOLINE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2003-09-03 — — EP 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-20040034044-A1 Quinazoline derivatives and drugs OPRL1, OPRK1, OPRD1 ADRA2B 295/4885ADRA2C 204/4885SLC6A2 608/4885
US-20080103163-A1 Antipruritics ITCH, OPRL1, NTSR1 ADRA2B 657/4885ADRA2C 557/4885SLC6A2 196/4885

“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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