Hydrochloric Acid

Hydrochloric Acid

SCHEMBL917417

Cl.Cl.N[C@@H]1CCCC[C@H]1N

nearest known ligand 0.91

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 16)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.32
MMP1 known ✓ P03956 1/20 0.32
MMP8 known ✓ P22894 1/20 0.32
MMP13 known ✓ P45452 1/20 0.32
THRB P10828 1/20 0.91
MEN1 O00255 1/20 0.91
KMT2A Q03164 1/20 0.91
ALDH1A1 P00352 1/20 0.36
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
MMP3 P08254 1/20 0.32
TSHR P16473 1/20 0.31
NOS2 P35228 1/20 0.30

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
Hydrochloric Acid SCHEMBL16177006 1.00
Hydrochloric Acid SCHEMBL9309435 1.00 THRB (0.91) THRBMEN1KMT2AALDH1A1MMP2
Hydrochloric Acid SCHEMBL9998942 1.00 THRB (0.91) THRBMEN1KMT2AALDH1A1MMP2
Hydrochloric Acid SCHEMBL503417 1.00
Hydrochloric Acid SCHEMBL3412760 1.00 THRB (0.91) THRBMEN1KMT2AALDH1A1MMP2
Hydrochloric Acid SCHEMBL503418 1.00
Hydrochloric Acid SCHEMBL503419 1.00
Hydrochloric Acid SCHEMBL9310246 1.00 THRB (0.91) THRBMEN1KMT2AALDH1A1MMP2
Hydrochloric Acid SCHEMBL742553 0.96 THRB (0.83) THRBMEN1KMT2AALDH1A1MMP2
Hydrochloric Acid SCHEMBL1858460 0.96 THRB (0.83) THRBMEN1KMT2AALDH1A1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273024-B2 Synthesis of cyclic carbonates UNIVERSITY OF YORK (GB) 2016-03-01 US disclosed
US-9242955-B2 Synthesis of cyclic carbonates UNIVERSITY OF YORK (GB) 2016-01-26 US disclosed
US-9006425-B2 Aluminum complexes and their use in the synthesis of cyclic carbonates UNIVERSITY OF YORK (GB) 2015-04-14 US disclosed
EP-2257559-B1 SYNTHESIS OF CYCLIC CARBONATES UNIV YORK (GB) 2014-10-15 EP disclosed
EP-2408784-B1 ALUMINUM COMPLEXES AND THEIR USE IN THE SYNTHESIS OF CYCLIC CARBONATES UNIV YORK (GB) 2014-08-27 EP disclosed
US-20130317237-A1 SYNTEHSIS OF CYCLIC CARBONATES UNIVERSITY OF NEW CASTLE UPON TYNE (GB) 2013-11-28 US disclosed
EP-2146977-B1 SYNTHESIS OF CYCLIC CARBONATES IN THE PRESENCE OF DIMERIC ALUMINIUM (SALEN) CATALYSTS UNIV NEWCASTLE (GB) 2012-11-14 EP disclosed
US-20110319634-A1 ALUMINUM COMPLEXES AND THEIR USE IN THE SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2011-12-29 US disclosed
US-20110015409-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2011-01-20 US disclosed
US-20100130752-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2010-05-27 US disclosed
EP-2146977-A1 SYNTHESIS OF CYCLIC CARBONATES IN THE PRESENCE OF DIMERIC ALUMINIUM (SALEN) CATALYSTS University Of Newcastle-Upon Tyne (GB) 2010-01-27 EP disclosed
WO-2008132474-A1 SYNTHESIS OF CYCLIC CARBONATES IN THE PRESENCE OF DIMERIC ALUMINIUM (SALEN) CATALYSTS UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2008-11-06 WO disclosed
EP-0567438-B1 Optically pure cis-oxalato(trans-l-1,2-cyclohexanediamine)Pt(II) and process for resolving optical isomers of a platinum complex compound TANAKA PRECIOUS METAL IND (JP) 1999-01-13 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 (4 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-20100130752-A1 SYNTHESIS OF CYCLIC CARBONATES CA2, SCO2, CA7 CA2 1/4885MMP1 4707/4885MMP8 4207/4885
US-20130317237-A1 SYNTEHSIS OF CYCLIC CARBONATES CA12, SUCLA2, LMNA CA2 6/4885MMP1 4148/4885MMP8 3256/4885
US-20110015409-A1 SYNTHESIS OF CYCLIC CARBONATES NR3C2, NR2C2, NR3C1 CA2 118/4885MMP1 4373/4885MMP8 4165/4885
US-20110319634-A1 ALUMINUM COMPLEXES AND THEIR USE IN THE SYNTHESIS OF CYCLIC CARBONATES CA1, CA2, CA3 CA2 2/4885MMP1 4422/4885MMP8 2748/4885

“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.