Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3333913

CC(C)N(Cc1ccccc1)C(C)C.Cl.OBO

nearest known ligand 0.49

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
HDAC1 known ✓ Q13547 1/20 0.46
HDAC8 known ✓ Q9BY41 1/20 0.46
HDAC6 known ✓ Q9UBN7 1/20 0.46
ADRA2B known ✓ P18089 1/20 0.44
ADRA2C known ✓ P18825 1/20 0.44
SLC6A2 known ✓ P23975 1/20 0.44
HTR2A known ✓ P28223 1/20 0.44
SLC6A4 known ✓ P31645 1/20 0.44
ADRA1A known ✓ P35348 1/20 0.44
OPRK1 known ✓ P41145 1/20 0.44
SLC6A3 known ✓ Q01959 1/20 0.44
KCNH2 known ✓ Q12809 1/20 0.44
MAOA known ✓ P21397 1/20 0.40
MAOB known ✓ P27338 1/20 0.40
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 3/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL9990734 0.98 MEN1 (0.50) MEN1KMT2AHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL27658035 0.92 TSHR (0.52) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL608453 0.89 TSHR (0.54) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL2662419 0.82 KMT2A (0.50) MEN1KMT2AHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL11200662 0.79 TSHR (0.48) MEN1KMT2ATSHRALDH1A1ADRA2B
SCHEMBL26267232 0.78 HDAC1 (0.59) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL79748 0.77 TSHR (0.50) MEN1KMT2ATSHRALDH1A1ADRA2B
Hydrochloric Acid SCHEMBL3332618 0.77 ALDH1A1 (0.77) KMT2ATSHRALDH1A1ADRA2BADRA2C
SCHEMBL24176560 0.76 TSHR (0.45) MEN1KMT2ATSHRALDH1A1ADRA2B
SCHEMBL24176562 0.76 TSHR (0.45) MEN1KMT2ATSHRALDH1A1ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748826-B2 Radioimaging methods using teboroxime and thallium BIOSENSOR INTERNATIONAL GROUP, LTD. (BM) 2014-06-10 US disclosed
US-20140037541-A1 RADIOIMAGING METHODS USING TEBOROXIME AND THALLIUM BIOSENSOR INTERNATIONAL GROUP LTD. (BM) 2014-02-06 US disclosed
US-8610075-B2 Radioimaging applications of and novel formulations of teboroxime BIOSENSORS INTERNATIONAL GROUP LTD. (BM) 2013-12-17 US disclosed
US-8481946-B2 2013-07-09 US disclosed
US-20100140483-A1 RADIOIMAGING APPLICATIONS OF AND NOVEL FORMULATIONS OF TEBOROXIME Spectrum Dynamics Medical Limited (VG) 2010-06-10 US disclosed
WO-2008059489-A2 RADIOIMAGING APPLICATIONS OF AND NOVEL FORMULATIONS OF TEBOROXIME SPECTRUM DYNAMICS LLC (US) 2008-05-22 WO disclosed
EP-0199260-B1 BORONIC ACID ADDUCTS OF TECHNETIUM-99M DIOXIME COMPLEXES E.R. Squibb & Sons, Inc. (US) 1989-12-06 EP disclosed
US-4705849-A Boronic acid adducts of technetium-99m dioxime complexes E. R. SQUIBB & SONS, INC. (US) 1987-11-10 US disclosed
EP-0199260-A2 Boronic acid adducts of technetium-99M dioxime complexes E.R. Squibb & Sons, Inc. (US) 1986-10-29 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 (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-20140037541-A1 RADIOIMAGING METHODS USING TEBOROXIME AND THALLIUM TPO, THRB, SLC6A12 HDAC1 3062/4885HDAC8 4658/4885HDAC6 2999/4885
US-20100140483-A1 RADIOIMAGING APPLICATIONS OF AND NOVEL FORMULATIONS OF TEBOROXIME TNNI3, TNNT2, IDO1 HDAC1 2297/4885HDAC8 2136/4885HDAC6 2251/4885

“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.