Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1229520

CCCCC(C)C(=N)N.Cl

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 15)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.40
OPRM1 known ✓ P35372 1/20 0.37
CA1 P00915 4/20 0.40
SPHK1 Q9NYA1 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
FDPS P14324 1/20 0.38
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
SLC15A1 P46059 1/20 0.34
DNM1 Q05193 1/20 0.33
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL8296936 0.98
SCHEMBL23197652 0.98
Hydrochloric Acid SCHEMBL4779651 0.91 SPHK1 (0.47) CA1SPHK1SPHK2FDPSOPRM1
SCHEMBL27863219 0.91 CA1 (0.50) CA1SPHK1SPHK2NOS3NOS1
SCHEMBL10185778 0.88 SPHK1 (0.48) CA1SPHK1SPHK2FDPSOPRM1
SCHEMBL12566014 0.88 SPHK1 (0.48) CA1SPHK1SPHK2FDPSOPRM1
SCHEMBL172766 0.88 SPHK1 (0.48) CA1SPHK1SPHK2FDPSOPRM1
SCHEMBL28842476 0.88 SPHK1 (0.48) CA1SPHK1SPHK2FDPSOPRM1
SCHEMBL172831 0.88 SPHK1 (0.48) CA1SPHK1SPHK2FDPSOPRM1
SCHEMBL2698591 0.88 SPHK1 (0.48) CA1SPHK1SPHK2FDPSOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459607-B1 HYBRID COPOLYMER COMPOSITIONS FOR PERSONAL CARE APPLICATIONS NOURYON CHEMICALS INT BV (NL) 2021-04-14 EP disclosed
EP-2459606-B1 HYBRID COPOLYMER COMPOSITIONS NOURYON CHEMICALS INT BV (NL) 2020-10-21 EP disclosed
US-9988526-B2 Hybrid dendrite copolymers, compositions thereof and methods for producing the same AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2018-06-05 US disclosed
US-9321873-B2 Hybrid copolymer compositions for personal care applications AKZO NOBEL N.V. (NL) 2016-04-26 US disclosed
EP-2773320-B1 HYBRID DENDRITE COPOLYMERS, COMPOSITIONS THEREOF AND METHODS FOR PRODUCING THE SAME AKZO NOBEL CHEMICALS INT BV (NL) 2016-02-03 EP disclosed
US-9109068-B2 Hybrid copolymer compositions AKZO NOBEL N.V. (NL) 2015-08-18 US disclosed
US-20140256880-A1 Hybrid dendrite copolymers, compositions thereof and methods for producing the same NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2014-09-11 US disclosed
EP-2773320-A1 HYBRID DENDRITE COPOLYMERS, COMPOSITIONS THEREOF AND METHODS FOR PRODUCING THE SAME Akzo Nobel Chemicals International B.V. (NL) 2014-09-10 EP disclosed
US-20130292611-A1 HYBRID MIXTURES FOR GAS HYDRATE INHIBITION APPLICATIONS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2013-11-07 US disclosed
EP-2658945-A1 HYBRID MIXTURES FOR GAS HYDRATE INHIBITION APPLICATIONS Akzo Nobel Chemicals International B.V. (NL) 2013-11-06 EP disclosed
WO-2013064647-A1 HYBRID DENDRITE COPOLYMERS, COMPOSITIONS THEREOF AND METHODS FOR PRODUCING THE SAME AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2013-05-10 WO disclosed
WO-2012089654-A1 HYBRID MIXTURES FOR GAS HYDRATE INHIBITION APPLICATIONS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-07-05 WO disclosed
EP-2459606-A1 HYBRID COPOLYMER COMPOSITIONS Akzo Nobel N.V. (NL) 2012-06-06 EP disclosed
EP-2459607-A1 HYBRID COPOLYMER COMPOSITIONS FOR PERSONAL CARE APPLICATIONS Akzo Nobel N.V. (NL) 2012-06-06 EP disclosed
US-20120134942-A1 Hybrid copolymer compositions for personal care applications AKZO NOBEL N.V. (NL) 2012-05-31 US disclosed
US-20120128608-A1 Hybrid copolymer compositions AKZO NOBEL N.V. (NL) 2012-05-24 US disclosed
WO-2011017223-A1 HYBRID COPOLYMER COMPOSITIONS FOR PERSONAL CARE APPLICATIONS AKZO NOBEL N.V. (NL) 2011-02-10 WO disclosed
WO-2011014783-A1 HYBRID COPOLYMER COMPOSITIONS AKZO NOBEL N.V. (NL) 2011-02-03 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-20120128608-A1 Hybrid copolymer compositions EPHX2, PUF60, ELOVL6 CA2 3726/4885OPRM1 1512/4885CA1 1469/4885
US-20120134942-A1 Hybrid copolymer compositions for personal care applications CUTA, MMS19, POLH CA2 4431/4885OPRM1 3703/4885CA1 4411/4885

“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.