Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2934796

Cl.NC(CC(=O)O)c1ccccc1

nearest known ligand 0.57

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 15)

geneUniProtsupporting neighboursconfidence
SCN4A known ✓ P35499 2/20 0.44
SRC known ✓ P12931 1/20 0.43
DPP4 known ✓ P27487 2/20 0.42
GABBR2 O75899 1/20 0.57
GABBR1 Q9UBS5 1/20 0.57
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.43
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
CPA1 P15085 2/20 0.42
CPB1 P15086 1/20 0.42
CPA3 P15088 1/20 0.42
CPB2 Q96IY4 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
Hydrochloric Acid SCHEMBL3874351 1.00 GABBR2 (0.57) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL4150999 1.00 GABBR2 (0.57) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL288753 0.98 GABBR2 (0.59) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL59840 0.98 GABBR2 (0.59) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL123765 0.98 GABBR2 (0.59) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL9386161 0.96 GABBR2 (0.57) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
Acetamide SCHEMBL27677566 0.90 GABBR2 (0.52) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL6949714 0.88 FFAR1 (0.54) GABBR2GABBR1KMT2ASMN1; SMN2
SCHEMBL7244087 0.88 GABBR2 (0.55) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL5845485 0.87 KMT2A (0.49) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117157285-A Pharmaceutical compounds as ubiquitin-specific protease 19 (USP 19) inhibitors 阿尔麦克探索有限公司 2023-12-01 CN disclosed
EP-3214086-B1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES (JP) 2021-09-22 EP disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 US disclosed
US-20190276389-A1 SYNTHESIS OF ARYL CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY 2019-09-12 US disclosed
US-10131679-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2018-11-20 US disclosed
EP-3390352-A1 SYNTHESIS OF CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS The Procter and Gamble Company (US) 2018-10-24 EP disclosed
CN-108368035-A SYNTHESIS OF CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS 宝洁公司 2018-08-03 CN disclosed
CN-107674061-A Pyridine derivate 霍夫曼-拉罗奇有限公司 2018-02-09 CN disclosed
US-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 2017-11-02 US disclosed
CN-104837831-B Novel pyridine derivatives 霍夫曼-拉罗奇有限公司 2017-10-31 CN disclosed
US-5981492-A ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
US-5939556-A Hydantoin compounds, salts thereof, processes for their preparation, and processes for preparing pharmaceutically active compounds comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1999-08-17 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
EP-0928793-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
CN-1202893-A Novel isoxazoline and isoxazole fibrinogen receptor antagonists DU PONT MERCK PHARMA (US) 1998-12-23 CN disclosed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 EP disclosed
EP-0355819-B1 Substituted aryl ureas as high potency sweeteners NUTRASWEET CO (US) 1994-01-05 EP disclosed
CN-1043125-A Be used as the aryl urea of the replacement of high-potency sweetener NUTRASWEET CO (US) 1990-06-20 CN disclosed
WO-1990002112-A1 SUBSTITUTED ARYL UREAS AS HIGH POTENCY SWEETENERS THE NUTRASWEET COMPANY (US) 1990-03-08 WO disclosed
EP-0355819-A1 Substituted aryl ureas as high potency sweeteners THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1990-02-28 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 (4 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-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND QDPR, CYP2D6, DCLK3 SCN4A 239/4885SRC 2855/4885DPP4 57/4885
US-10131679-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, DCLK3 SCN4A 239/4885SRC 2855/4885DPP4 57/4885
US-10968238-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, KCNJ11 SCN4A 228/4885SRC 2958/4885DPP4 46/4885
US-20190276389-A1 SYNTHESIS OF ARYL CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS CUTA, TAS2R8, TRPA1 SCN4A 531/4885SRC 2679/4885DPP4 3960/4885

“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.