Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2914909

Cl.ClNNc1ccc(Cl)cc1

nearest known ligand 0.45

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 20)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 4/20 0.45
CA2 known ✓ P00918 1/20 0.39
GAA known ✓ P10253 5/20 0.38
AGTR1 known ✓ P30556 1/20 0.36
LMNA P02545 2/20 0.44
CYP2A6 P11509 1/20 0.44
NPC1 O15118 2/20 0.39
CA1 P00915 1/20 0.39
ALDH1A1 P00352 6/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
CES1 P23141 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 3/20 0.36

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
SCHEMBL3888571 0.97 LMNA (0.47) PTGS2LMNACYP2A6NPC1CA1
SCHEMBL3260825 0.82 LMNA (0.57) PTGS2LMNACYP2A6NPC1CA1
Hydrochloric Acid SCHEMBL4573403 0.76 PTGS2 (0.43) PTGS2LMNACYP2A6NPC1CA1
Hydrochloric Acid SCHEMBL4585173 0.76 PTGS2 (0.43) PTGS2LMNACYP2A6NPC1CA1
Hydrochloric Acid SCHEMBL28023681 0.76 ALDH1A1 (0.45) PTGS2LMNACYP2A6NPC1CA1
Hydrochloric Acid SCHEMBL3615051 0.76 ALDH1A1 (0.38) LMNAALDH1A1GAACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6139377 0.76 MAPT (0.44) PTGS2LMNANPC1CA1CA2
Hydrochloric Acid SCHEMBL28016547 0.76 ALDH1A1 (0.42) LMNANPC1CA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL1408526 0.74 ALDH1A1 (0.61) PTGS2LMNAALDH1A1GAACYP1A2
SCHEMBL1103762 0.73

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
CN-108054428-A A kind of rechargeable lithium battery electrolyte 杨彬 2018-05-18 CN disclosed
US-20130017149-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2013-01-17 US disclosed
EP-2223914-A1 Tricyclic condensed pyrazole derivatives as CB1 inhibitors Neuroscienze Pharmaness S.C. A R.L. (IT) 2010-09-01 EP disclosed
EP-2223913-A1 Tricyclic pyrazole derivatives and microemulsions thereof as CB1- and/or CB2-inhibitors Neuroscienze Pharmaness S.C. A R.L. (IT) 2010-09-01 EP disclosed
US-20100215741-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2010-08-26 US disclosed
US-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 US disclosed
US-20030119673-A1 Phenylpyridazinones LINKER KARL-HEINZ (DE) 2003-06-26 US disclosed
US-6551963-B1 For controlling unwanted vegetation BAYER AKTIENGESELLSCHAFT (DE) 2003-04-22 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 (3 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-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 PTGS2 983/4885CA2 2288/4885GAA 1021/4885
US-20100215741-A1 PHARMACEUTICAL COMPOUNDS CNR1, CNR2, TRPV1 PTGS2 924/4885CA2 1691/4885GAA 3597/4885
US-20130017149-A1 PHARMACEUTICAL COMPOUNDS CNR1, CNR2, TRPV1 PTGS2 924/4885CA2 1691/4885GAA 3597/4885

“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.