Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6717346

Cl.Cl.O=C(O)C(CCC(Cc1ccccc1)C(=O)O)Cc1ccccc1

nearest known ligand 0.79

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
▸ PTGS1 known ✓ P23219 1/20 0.55
▸ CYP1A2 P05177 1/20 0.79
▸ CPA3 P15088 3/20 0.75
▸ FOLH1 Q04609 3/20 0.70
▸ CPA1 P15085 7/20 0.68
▸ CPB1 P15086 1/20 0.68
▸ CPB2 Q96IY4 1/20 0.68
▸ SLC1A3 P43003 1/20 0.61
▸ SLC1A2 P43004 1/20 0.61
▸ SLC1A1 P43005 1/20 0.61
▸ MME P08473 1/20 0.58
▸ NAALAD2 Q9Y3Q0 1/20 0.56
▸ ALPI P09923 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ XIAP P98170 1/20 0.55
▸ SLC7A5 Q01650 1/20 0.55

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
SCHEMBL6724759 0.98 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL19821208 0.98 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494233 0.98 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL11664393 0.89 FOLH1 (0.79) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL4664822 0.89 CYP1A2 (1.00) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494839 0.88 CYP1A2 (0.68) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494636 0.88 CYP1A2 (0.68) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494703 0.88 CYP1A2 (0.68) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL3276235 0.88 CYP1A2 (0.68) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12493651 0.88 CYP1A2 (0.74) CYP1A2CPA3FOLH1CPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673880-B2 ETHYLENE (CO)POLYMERS HAVING LOW MOLECULAR WEIGHTS AND NARROW MOLECULAR WEIGHT DISTRIBUTIONS BASELL TECHNOLOGY COMPANY B.V. (NL) 2004-01-06 — — US disclosed
EP-0942011-B1 Multi-stage process for the polymerization of olefins BASELL POLIOLEFINE SPA (IT) 2003-05-14 — — EP disclosed
EP-0941997-B1 Bridged zirconocene compounds, process for their preparation, and their use as catalyst components in the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2002-12-18 — — EP disclosed
US-6479609-B1 Multi-stage process for the polymerization of olefins BASELL TECHNOLOGY COMPANY BV (NL) 2002-11-12 — — US disclosed
US-20020039962-A1 Bridged zirconocene compounds, process for their preparation and their use as catalyst components in the polymerization of olefins MONTELL TECHNOLOGY COMPANY B.V. 2002-04-04 — — US disclosed
US-6306791-B2 Bridged zirconocene compounds, process for their preparation and their use as catalyst components in the polymerization of olefins BASELL TECHNOLOGY COMPANY BV (NL) 2001-10-23 — — US disclosed
US-20010014751-A1 Bridged zirconocene compounds, process for their preparation and their use as catalyst components in the polymeriaztion of olefins MONTELL TECHNOLOGY COMPANY B.V. 2001-08-16 — — US disclosed
US-6262195-B1 POLYMERIZING ETHYLENE OPTIONALLY WITH ALPHA-OLEFIN IN PRESENCE OF TITANIUM OR VANADIUM COMPOUND CATALYST; CONTACTING PRODUCT WITH COMPOUND TO DEACTIVATE CATALYST, ZIRCOCENE CATALYST AND COCATALYST TO FURTHER POLYMERIZE MONTELL TECHNOLOGY COMPANY BV (NL) 2001-07-17 — — US disclosed
US-6232484-B1 Bridged zirconocene compounds, process for their preparation and their use as catalyst components in the polymerization of olefins MONTELL TECHNOLOGY B.V. (NL) 2001-05-15 — — US disclosed
EP-0941997-A2 Bridged zirconocene compounds, process for their preparation, and their use as catalyst components in the polymerization of olefins Montell Technology Company bv (NL) 1999-09-15 — — EP disclosed
EP-0942011-A1 Multi-stage process for the polymerization of olefins Montell Technology Company bv (NL) 1999-09-15 — — 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-20020039962-A1 Bridged zirconocene compounds, process for their preparation and their use as catalyst components in the polymerization of olefins ZRANB2, ZKSCAN2, ZCCHC8 PTGS1 2639/4885CYP1A2 3435/4885CPA3 4615/4885
US-20010014751-A1 Bridged zirconocene compounds, process for their preparation and their use as catalyst components in the polymeriaztion of olefins ZRANB2, ZKSCAN2, ZNF787 PTGS1 1668/4885CYP1A2 2297/4885CPA3 3697/4885

“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.

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