Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4678546

COC(=O)[C@@H](N)CC(=O)O.Cl

nearest known ligand 0.48

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
S1PR1 known ✓ P21453 1/20 0.35
S1PR3 known ✓ Q99500 1/20 0.35
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIF11 P52732 1/20 0.36
BHMT Q93088 1/20 0.35
SLC1A1 P43005 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
GABRR1 P24046 2/20 0.34
LMNA P02545 1/20 0.34

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 SCHEMBL30466615 1.00 KMT2A (0.36) KMT2ASMN1; SMN2KIF11BHMTSLC1A1
Hydrochloric Acid SCHEMBL4678540 1.00 KMT2A (0.36) KMT2ASMN1; SMN2KIF11BHMTSLC1A1
SCHEMBL416894 0.98 KMT2A (0.37) KMT2ASMN1; SMN2KIF11BHMTSLC1A1
SCHEMBL996039 0.98 KMT2A (0.37) KMT2ASMN1; SMN2KIF11BHMTSLC1A1
SCHEMBL6259101 0.98 KMT2A (0.37) KMT2ASMN1; SMN2KIF11BHMTSLC1A1
Ammonia Solution, Strong SCHEMBL7204814 0.95 TDP1 (0.39) KMT2ASMN1; SMN2KIF11BHMTSLC1A1
SCHEMBL28364770 0.88 KIF11 (0.33) KMT2ASMN1; SMN2KIF11BHMTSLC1A1
Hydrochloric Acid SCHEMBL9538568 0.82 TSHR (0.40) KMT2ASMN1; SMN2KIF11SLC1A1ALDH1A1
Hydrochloric Acid SCHEMBL1802201 0.82 TSHR (0.40) KMT2ASMN1; SMN2KIF11SLC1A1ALDH1A1
Hydrochloric Acid SCHEMBL22164454 0.82 ALDH1A1 (0.36) KMT2ASMN1; SMN2KIF11SLC1A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903078-A Amide derivative containing 3, 4-dichloro isothiazole, preparation method and application thereof 南开大学 2024-04-19 CN claimed
CN-109678740-A A method of synthesis L- asparagine 江苏鑫露化工新材料有限公司 2019-04-26 CN claimed
CN-108997155-A A kind of polypeptide raw material aspartic acid β-tert-butyl ester α-methyl ester hydrochloride preparation method 吉尔生化(上海)有限公司 2018-12-14 CN claimed
CN-103992337-B A kind of method preparing Aspoxicillin sodium easily 南京优科生物医药研究有限公司 2016-08-17 CN claimed
CN-101519490-A Water-solubility polymer containing amino-acid or peptide radicals as well as preparation method and application thereof CHANGCHUN APPLIED CHEMISTRY 2009-09-02 CN claimed
CN-1810795-A Benzopyran compound and its prepn and use SHANGHAI INST OF MEDICAMENTS C (CN) 2006-08-02 CN claimed
CN-119638586-A Trifluoromethyl cyclohexyl benzyl ether substituted nitrogenous organic acid derivative, preparation method and application thereof 中国医学科学院药物研究所 2025-03-18 CN disclosed
CN-115634224-B Application of TERPESTACIN derivative in preparation of medicine for treating brain glioma 中国科学院南海海洋研究所 2024-10-01 CN disclosed
EP-4406606-A2 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE G Bayer Pharma Aktiengesellschaft (DE) 2024-07-31 EP disclosed
CN-118234705-A Aspartic acid derivative and application thereof in treatment of liver fibrosis, nonalcoholic hepatitis and other metabolic diseases 深圳利沃生物医药科技有限公司 2024-06-21 CN disclosed
US-12011482-B2 Chlorin derivatives or pharmaceutically acceptable salts thereof, preparation method and use thereof, and combination thereof with an ultrasonic medical system GUANGZHOU EEC BIOTECH DEVELOPMENT CO., LTD. (CN) 2024-06-18 US disclosed
CN-117903078-A Amide derivative containing 3, 4-dichloro isothiazole, preparation method and application thereof 南开大学 2024-04-19 CN disclosed
CN-114751863-B Terpastacin derivative, preparation method thereof and application thereof in preparation of hypoxia factor inhibitor 中国科学院南海海洋研究所 2024-01-05 CN disclosed
EP-1202976-A1 PYRAZINONES, COMPOSITIONS CONTAINING SUCH COMPOUNDS Merck Frosst Canada & Co. (CA) 2002-05-08 EP disclosed
EP-1080067-A1 BIODEGRADABLE CORROSION INHIBITORS THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 2001-03-07 EP disclosed
WO-2001005772-A1 PYRAZINONES, COMPOSITIONS CONTAINING SUCH COMPOUNDS MERCK FROSST CANADA & CO. (CA) 2001-01-25 WO disclosed
EP-1001971-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999059958-A1 BIODEGRADABLE CORROSION INHIBITORS THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1999-11-25 WO disclosed
WO-1999006432-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
US-5326908-A Process for the preparation of asparagine NSC TECHNOLOGIES LLC 1994-07-05 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 (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-12011482-B2 Chlorin derivatives or pharmaceutically acceptable salts thereof, preparation method and use thereof, and combination thereof with an ultrasonic medical system STAT6, JAK3, JAK1 S1PR1 3415/4885S1PR3 2791/4885KMT2A 3793/4885

“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.