Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2044151

C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.Cl.[Fe]

nearest known ligand 0.40

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
GABRA1 known ✓ P14867 3/20 0.39
GABRG2 known ✓ P18507 2/20 0.39
GABRB3 known ✓ P28472 2/20 0.39
GABRB2 known ✓ P47870 2/20 0.38
CA2 known ✓ P00918 1/20 0.38
GABRB1 known ✓ P18505 1/20 0.38
PTGS1 known ✓ P23219 1/20 0.38
SLC6A2 known ✓ P23975 1/20 0.38
HTR2C known ✓ P28335 1/20 0.38
GABRA5 known ✓ P31644 1/20 0.38
GABRA3 known ✓ P34903 1/20 0.38
HTR2B known ✓ P41595 1/20 0.38
GABRA2 known ✓ P47869 1/20 0.38
GABRA4 known ✓ P48169 1/20 0.38
GABRA6 known ✓ Q16445 1/20 0.38
SIGMAR1 known ✓ Q99720 2/20 0.31
HSP90AA1 known ✓ P07900 1/20 0.31
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL27608902 0.98 GABRA1 (0.40) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL1575632 0.97 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL1002830 0.97 GABRA1 (0.41) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL808792 0.97 GABRA1 (0.41) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL5589413 0.95 GABRA1 (0.40) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL1575753 0.93 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL7171618 0.93 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL6915966 0.93 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL1685885 0.93 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL7176112 0.93 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNAGABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426535-B2 Chain growth reaction process INEOS EUROPE LIMITED (GB) 2013-04-23 US disclosed
US-7964681-B2 Catalytic reaction using organometallic catalyst; reacting alpha-olefin with zincalkyl in presence of catalyst; by-product inhibition INEOS EUROPE LIMITED (GB) 2011-06-21 US disclosed
US-20100331563-A1 Chain growth reaction process INEOS EUROPE LIMITED (GB) 2010-12-30 US disclosed
US-20070142656-A1 Chain growth reaction process BP CHEMICALS LIMITED 2007-06-21 US disclosed
WO-2001068726-A1 ATOM TRANSFER RADICAL POLYMERISATION CATALYST BP CHEMICALS LIMITED (GB) 2001-09-20 WO 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 (2 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-20100331563-A1 Chain growth reaction process ALOX12, ADH1A, ADH1C GABRA1 804/4885GABRG2 659/4885GABRB3 699/4885
US-20070142656-A1 Chain growth reaction process ALOX12, ADH1A, ADH1C GABRA1 804/4885GABRG2 659/4885GABRB3 699/4885

“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.