Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4473880

COc1ccc(CCN)cc1.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 11)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 6/20 0.88
TAAR1 Q96RJ0 4/20 0.95
IDO1 P14902 2/20 0.57
AGXT P21549 2/20 0.57
AOC3 Q16853 1/20 0.57
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2A6 P11509 1/20 0.54
CALM1 P0DP23 1/20 0.53

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
SCHEMBL4634 0.98 TAAR1 (1.00) TAAR1MAOBIDO1AGXTAOC3
Bromide SCHEMBL25228226 0.95 TAAR1 (0.95) TAAR1MAOBIDO1AGXTAOC3
SCHEMBL9468301 0.95 TAAR1 (0.95) TAAR1MAOBIDO1AGXTAOC3
Iodide SCHEMBL29184237 0.95 TAAR1 (0.95) TAAR1MAOBIDO1AGXTAOC3
SCHEMBL4842037 0.91 MAOB (1.00) TAAR1MAOBAOC3CYP1A2CYP2A6
SCHEMBL9468421 0.91 TAAR1 (0.88) TAAR1MAOBIDO1AGXTAOC3
Phenethylamine SCHEMBL22129843 0.90 TAAR1 (0.84) TAAR1MAOBCYP2A6
Tyramine SCHEMBL8339170 0.88 TAAR1 (0.81) TAAR1MAOBIDO1AGXTALDH1A1
Hydrochloric Acid SCHEMBL1029559 0.87 TAAR1 (0.73) TAAR1MAOBIDO1AGXTAOC3
SCHEMBL4463419 0.86 TAAR1 (0.78) TAAR1MAOBIDO1AOC3CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116193878-A Amine halide salt doped carbon-based perovskite solar cell 河北工业大学 2023-05-30 CN claimed
CN-115988889-A Perovskite solar cell treated by ammonium chloride salt and preparation method thereof 河北工业大学 2023-04-18 CN claimed
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 US claimed
CN-117903115-A Sulfone-substituted heterocyclic structure compound, preparation method thereof and application thereof in medicine 上海致根医药科技有限公司 2024-04-19 CN disclosed
CN-116193878-A Amine halide salt doped carbon-based perovskite solar cell 河北工业大学 2023-05-30 CN disclosed
CN-115988889-A Perovskite solar cell treated by ammonium chloride salt and preparation method thereof 河北工业大学 2023-04-18 CN disclosed
CN-106536503-B A kind of tyrosine kinase inhibitor and application thereof 北京澳合药物研究院有限公司 2019-09-06 CN disclosed
CN-110114346-A Improved process for the preparation of R-6-hydroxy-8- [ 1-hydroxy-2- [2- (4-methoxyphenyl) -1, 1-dimethylethylaminoethyl ] -2H-1, 4-benzoxazin-3 (4H) -one hydrochloride INKE股份公司 2019-08-09 CN disclosed
CN-106536503-A Tyrosine kinase inhibitor and uses thereof 山东轩竹医药科技有限公司 2017-03-22 CN disclosed
CN-103965108-B A kind of method of synthesizing Laudanine ANTI-DRUG INFORMATION TECHNOLOGY CENTER OF THE MINISTRY OF PUBLIC SECURITY (CN) 2015-09-23 CN disclosed
CN-104447544-A Preparation and application of mono-benzylisoquinoline alkaloid derivative having pancrelipase inhabitation activity UNIV CHINA PHARMA 2015-03-25 CN disclosed
CN-100363331-C Method for preparing p-hydroxy phenylethylamine hydrochloride JIANGSU TECH TEACHER S COLLEGE (CN) 2008-01-23 CN disclosed
EP-1644343-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-07-04 EP disclosed
CN-1915965-A Method for preparing p-hydroxy phenylethylamine hydrochloride JIANGSU TECH TEACHER S COLLEGE (CN) 2007-02-21 CN disclosed
US-20060154928-A1 Novel 2,4-diamino-1,3,5-triazine derivative HAMARI CHEMICALS, LTD. (JP) 2006-07-13 US disclosed
EP-1574503-A1 NOVEL 2,4-DIAMINO-1,3,5-TRIAZINE DERIVATIVE Hamari Chemicals Co., Ltd. (JP) 2005-09-14 EP disclosed
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 EP disclosed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 WO disclosed
US-4493931-A REACTING PHOSPHORAMIDE WITH ALDEHYDE, THEN A BASE, HEATING, HYDROLYSIS, REDUCTION, AND ACID TREATMENT SANOFI (FR) 1985-01-15 US disclosed
EP-0017376-A1 Phenylacetamide compounds and an analgesic composition containing them KISSEI PHARMACEUTICAL CO. LTD (JP) 1980-10-15 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-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1B, ADRB2 MAOB 169/4885TAAR1 96/4885IDO1 1736/4885
US-20060154928-A1 Novel 2,4-diamino-1,3,5-triazine derivative DAZAP1, DCUN1D5, TLR5 MAOB 1850/4885TAAR1 732/4885IDO1 1039/4885

“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.