Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1683545

C=CC(=O)OCC(Cc1ccccc1)N(C)C.Cl

nearest known ligand 0.43

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
OPRM1 known ✓ P35372 8/20 0.41
OPRD1 known ✓ P41143 8/20 0.41
OPRK1 known ✓ P41145 8/20 0.41
CHRM1 known ✓ P11229 1/20 0.40
PRKCG known ✓ P05129 1/20 0.40
PRKCB known ✓ P05771 1/20 0.40
PRKCA known ✓ P17252 1/20 0.40
PRKCH known ✓ P24723 1/20 0.40
PRKCE known ✓ Q02156 1/20 0.40
PRKCD known ✓ Q05655 1/20 0.40
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.39

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 SCHEMBL3196330 0.90 PRKCG (0.42) TSHRTHRBOPRM1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL10808969 0.81 TSHR (0.42) TSHROPRM1OPRD1OPRK1ALDH1A1
SCHEMBL5467970 0.80 TSHR (0.51) TSHRTHRBALDH1A1MAPTLMNA
SCHEMBL26840962 0.79 THRB (0.49) TSHRTHRBLMNA
SCHEMBL12860109 0.78 TSHR (0.61) TSHRTHRBALDH1A1
SCHEMBL1637392 0.78 THRB (0.47) TSHRTHRB
SCHEMBL17045286 0.77 OPRD1 (0.46) OPRM1OPRD1OPRK1
SCHEMBL17045284 0.77 OPRD1 (0.46) OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL27707281 0.77 ALDH1A1 (0.43) TSHRTHRBOPRM1OPRD1OPRK1
SCHEMBL17045287 0.77 OPRD1 (0.46) OPRM1OPRD1OPRK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680038-B2 Copolymer containing zwitterionic units and other units, composition comprising the copolymer, and use RHODIA OPERATIONS (FR) 2014-03-25 US claimed
EP-1966259-B1 COPOLYMER CONTAINING ZWITTERIONIC UNITS AND OTHER UNITS, COMPOSITION COMPRISING THE COPOLYMER, AND USE RHODIA OPERATIONS (FR) 2012-04-18 EP claimed
US-20090197791-A1 COPOLYMER CONTAINING ZWITTERIONIC UNITS AND OTHER UNITS, COMPOSITION COMPRISING THE COPOLYMER, AND USE RHODIA RECHERCHES ET TECHNOLOGIES (FR) 2009-08-06 US claimed
US-8680038-B2 Copolymer containing zwitterionic units and other units, composition comprising the copolymer, and use RHODIA OPERATIONS (FR) 2014-03-25 US disclosed
US-8637622-B2 Copolymer including betaine units and hydrophobic and/or amphiphilic units, method for preparing same and uses thereof RHODIA OPERATIONS (FR) 2014-01-28 US disclosed
US-20110092634-A1 POLYMERIC MICROGEL COMPRISING CATIONIC UNITS RHODIA OPERATIONS (FR) 2011-04-21 US disclosed
US-20100093874-A1 COPOLYMER INCLUDING BETAINE UNITS AND HYDROPHOBIC AND/OR AMPHIPHILIC UNITS, METHOD FOR PREPARING SAME AND USES THEREOF RHODIA OPERATIONS (FR) 2010-04-15 US disclosed
US-20090197791-A1 COPOLYMER CONTAINING ZWITTERIONIC UNITS AND OTHER UNITS, COMPOSITION COMPRISING THE COPOLYMER, AND USE RHODIA RECHERCHES ET TECHNOLOGIES (FR) 2009-08-06 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-20100093874-A1 COPOLYMER INCLUDING BETAINE UNITS AND HYDROPHOBIC AND/OR AMPHIPHILIC UNITS, METHOD FOR PREPARING SAME AND USES THEREOF SLC6A12, BHMT, PHOSPHO1 OPRM1 1360/4885OPRD1 1316/4885OPRK1 1697/4885

“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.