Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3588939

Cl.ONOCc1ccccc1

nearest known ligand 0.52

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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 2/20 0.43
SLC6A3 known ✓ Q01959 2/20 0.43
PTGS1 known ✓ P23219 1/20 0.43
PTGS2 known ✓ P35354 1/20 0.43
HDAC6 known ✓ Q9UBN7 1/20 0.43
CA2 known ✓ P00918 1/20 0.42
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
TSHR P16473 2/20 0.50
AGXT P21549 1/20 0.50
IDO1 P14902 2/20 0.46
THRB P10828 1/20 0.46
HRAS P01112 1/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4695833 0.98 NPC1 (0.53) NPC1RAB9ATSHRAGXTIDO1
Fluoride SCHEMBL27626551 0.95 NPC1 (0.52) NPC1RAB9ATSHRAGXTIDO1
Hydrochloric Acid SCHEMBL11220071 0.80 TSHR (0.55) NPC1RAB9ATSHRAGXTIDO1
SCHEMBL538293 0.77 TSHR (0.57) NPC1RAB9ATSHRAGXTIDO1
Hydrochloric Acid SCHEMBL6477571 0.76 MAPT (0.50) NPC1RAB9ATSHRAGXTIDO1
Hydrochloric Acid SCHEMBL28989899 0.76 NPC1 (0.67) NPC1RAB9AAGXTALDH1A1SLC6A2
SCHEMBL23489775 0.76 NPC1 (0.40) NPC1RAB9ATSHRAGXTIDO1
Hydrochloric Acid SCHEMBL584919 0.74 AGXT (0.48) NPC1RAB9ATSHRAGXTIDO1
Hydrochloric Acid SCHEMBL6967279 0.74 HRAS (0.62) NPC1RAB9ATSHRAGXTIDO1
SCHEMBL6509893 0.74 NPC1 (0.65) NPC1RAB9AALDH1A1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023323-B Preparation method of avibactam intermediate 浙江工业大学 2025-06-17 CN claimed
CN-116023323-A Preparation method of avibactam intermediate 浙江工业大学 2023-04-28 CN claimed
CN-116023323-B Preparation method of avibactam intermediate 浙江工业大学 2025-06-17 CN disclosed
CN-117946025-A 1-Oxygen-2, 8-diazacyclic sunflower ketone derivative and synthetic method and application thereof 广西师范大学 2024-04-30 CN disclosed
CN-116023323-A Preparation method of avibactam intermediate 浙江工业大学 2023-04-28 CN disclosed
CN-107033052-A A kind of preparation method of actinonin 华东师范大学 2017-08-11 CN disclosed
CN-107033052-A A kind of preparation method of actinonin 华东师范大学 2017-08-11 CN disclosed
EP-2806873-A1 AMIDINE SUBSTITUTED BETA - LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AiCuris GmbH & Co. KG (DE) 2014-12-03 EP disclosed
US-8513246-B2 Use of N-heterocyclylmethylbenzamides in therapeutics SANOFI (FR) 2013-08-20 US disclosed
WO-2013110643-A1 AMIDINE SUBSTITUTED BETA - LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2013-08-01 WO disclosed
CN-101684118-B Use of tricyclic compounds as glycine transport inhibitors SANOFI AVENTIS 2013-04-10 CN disclosed
EP-1706205-A1 A CATALYTIC ASYMMETRIC EPOXIDATION University of Chicago (US) 2006-10-04 EP disclosed
EP-0982026-B1 Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers HOFFMANN LA ROCHE (CH) 2006-05-17 EP disclosed
CN-1223581-C Method for synthesizing benzyloxy amine hydrochloride UNIV XIAMEN (CN) 2005-10-19 CN disclosed
WO-2005072868-A1 A CATALYTIC ASYMMETRIC EPOXIDATION UNIVERSITY OF CHICAGO (US) 2005-08-11 WO disclosed
US-20050159607-A1 Catalytic asymmetric epoxidation JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-07-21 US disclosed
CN-1141936-C Usage of aryl-cyclohexylamine derivant in anti-disturbance of central nervous system - 2004-03-17 CN disclosed
US-6184236-B1 Method of treating a neurodegenerative disease by administering an aryl-cyclohexylamine derivative HOFFMANN-LA ROCHE INC. 2001-02-06 US disclosed
CN-1248439-A Usage of aryl-cyclohexylamine derivant in anti-disturbance of central nervous system HOFFMAN LA ROCHE & CO AKTEINGE (DE) 2000-03-29 CN disclosed
EP-0982026-A2 Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers F. HOFFMANN-LA ROCHE AG (CH) 2000-03-01 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 (1 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-20050159607-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 SLC6A2 4259/4885SLC6A3 4122/4885PTGS1 253/4885

“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.