Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2007605

COc1cc(CN)c(Cl)cc1O.Cl

nearest known ligand 0.47

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
GLA known ✓ P06280 1/20 0.45
TRPV1 Q8NER1 1/20 0.47
TAAR1 Q96RJ0 3/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
APEX1 P27695 1/20 0.44
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NFKB1 P19838 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
HMGCR P04035 1/20 0.41
ALOX15 P16050 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ALOX12 P18054 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
SCHEMBL1753781 0.98 TRPV1 (0.48) TRPV1TAAR1LMNAGLAMEN1
SCHEMBL10509984 0.84 TAAR1 (0.62) TRPV1TAAR1LMNAGLAMEN1
Hydrochloric Acid SCHEMBL2007942 0.79 TRPV1 (0.47) TRPV1TAAR1LMNAGLAMEN1
SCHEMBL12629209 0.78 TAAR1 (0.46) TAAR1LMNAGLAMEN1KMT2A
SCHEMBL2908281 0.77 HMGCR (0.50) TAAR1LMNAGLAMEN1KMT2A
SCHEMBL12629556 0.76 TRPV1 (0.48) TRPV1TAAR1LMNAGLAMEN1
SCHEMBL13225464 0.76 TAAR1 (0.50) TRPV1TAAR1LMNAGLAMEN1
SCHEMBL1754342 0.76 TRPV1 (0.48) TRPV1TAAR1LMNAGLAMEN1
SCHEMBL248581 0.76 MAOB (0.48) TRPV1LMNAMEN1KMT2ATSHR
SCHEMBL2729269 0.76 GAA (0.53) TRPV1LMNAMEN1KMT2ATSHR

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-7964642-B2 Antiinflammatory agents, analgesics; 2-halo-4-hydroxy-5-methoxyphenyl-functional urea or thiourea compounds such as 1-(p-trifluoromethylbenzyl)-3-(2-iodo-4-hydroxy-5-methoxybenzyl)thiourea PHARMESTE S.R.L. (IT) 2011-06-21 US disclosed
EP-1758851-B1 VANILLOID TRPV1 RECEPTOR ANTAGONISTS PHARMESTE SRL (IT) 2010-01-13 EP disclosed
US-20080085936-A1 Antiinflammatory agents, analgesics; 2-halo-4-hydroxy-5-methoxyphenyl-functional urea or thiourea compounds such as 1-(p-trifluoromethylbenzyl)-3-(2-iodo-4-hydroxy-5-methoxybenzyl)thiourea PHARMESTE S.R.L. (IT) 2008-04-10 US disclosed
EP-1758851-A1 VANILLOID TRPV1 RECEPTOR ANTAGONISTS Pharmeste S.r.l. (IT) 2007-03-07 EP disclosed
WO-2005123666-A1 VANILLOID TRPV1 RECEPTOR ANTAGONISTS PHARMESTE S.R.L. (IT) 2005-12-29 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 (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-20080085936-A1 Antiinflammatory agents, analgesics; 2-halo-4-hydroxy-5-methoxyphenyl-functional urea or thiourea compounds such as 1-(p-trifluoromethylbenzyl)-3-(2-iodo-4-hydroxy-5-methoxybenzyl)thiourea SIGMAR1, PTGS1, TPMT GLA 4216/4885TRPV1 403/4885TAAR1 217/4885

“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.