Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4060943

COc1cc(O[Ti])cc(C(C)(C)C)c1.Cl.Cl

nearest known ligand 0.46

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
CA2 known ✓ P00918 1/20 0.41
GABRA1 known ✓ P14867 1/20 0.33
GABRB2 known ✓ P47870 1/20 0.33
ABL1 known ✓ P00519 2/20 0.31
ESR1 known ✓ P03372 2/20 0.31
BCR known ✓ P11274 2/20 0.31
TTR known ✓ P02766 1/20 0.31
CYP19A1 known ✓ P11511 1/20 0.31
PTGS2 known ✓ P35354 1/20 0.31
ALDH1A1 P00352 2/20 0.46
CA1 P00915 1/20 0.41
CYP1A1 P04798 6/20 0.37
CYP1B1 Q16678 6/20 0.37
POLB P06746 1/20 0.35
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPT P10636 3/20 0.33
CYP2E1 P05181 2/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2D6 P10635 2/20 0.33

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
SCHEMBL27487636 0.98 ALDH1A1 (0.48) ALDH1A1CA1CA2CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL1984914 0.87 GABRA1 (0.44) ALDH1A1POLBMAPTGABRA1GABRB2
SCHEMBL278798 0.87 ALDH1A1 (0.61) ALDH1A1CA1CA2CYP1A1CYP1B1
SCHEMBL27862339 0.84 GABRA1 (0.46) ALDH1A1CA1CA2POLBCYP3A4
SCHEMBL3807248 0.82 ALDH1A1 (0.53) ALDH1A1CA1CA2CYP1A1CYP1B1
SCHEMBL9308591 0.82 ALDH1A1 (0.69) ALDH1A1CA1CA2CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL4059125 0.79 POLB (0.40) ALDH1A1CA2POLBCYP3A4MAPT
Hydrochloric Acid SCHEMBL4059156 0.79 POLB (0.40) ALDH1A1CA2POLBCYP3A4MAPT
Hydrochloric Acid SCHEMBL4066781 0.78 POLB (0.34) POLBGABRA1GABRB2
SCHEMBL22653006 0.77 ALDH1A1 (0.48) ALDH1A1CA1CA2CYP1A1CYP1B1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1196732-A Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 1998-10-21 CN claimed
WO-2013047891-A2 WASHING METHOD, ADDITION POLYMERIZATION METHOD, PREPOLYMERIZATION METHOD, PREPOLYMERIZED CATALYTIC COMPONENT FOR ADDITION POLYMERIZATION, AND METHOD FOR PRODUCING ADDITION POLYMER USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-04 WO disclosed
WO-2012063972-A1 METHOD FOR COATING REACTOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-18 WO disclosed
CN-100549080-C The composition for thermoplastic elastomer powder is with the powder compacting method and the moulded products of this powder SUMITOMO CHEMICAL CO (JP) 2009-10-14 CN disclosed
WO-2009116656-A1 PREPOLYMERIZATION CATALYST COMPONENT AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-24 WO disclosed
CN-101429257-A Modified particle and its manufacturing method, carrier, catalyst component for addition polymerization, catalyst for addition polymerization and manufacturing method of addition polymer SUMITOMO CHEMICAL CO (JP) 2009-05-13 CN disclosed
WO-2008105546-A1 PRODUCTION PROCESS OF OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 WO disclosed
CN-101005250-A Alternative relay continuous circulation movement motor of permanent electromagnetic field electromagnetic repulsive force periphery FAN HOUPENG (CN) 2007-07-25 CN disclosed
CN-1821296-A Thermoplastic elastomer composition powder, powder molding process using the same and moldings SUMITOMO CHEMICAL CO (JP) 2006-08-23 CN disclosed
CN-1269854-C Component of polyaddition catalyst, polyaddition catalyst and process for preparing addition polymer SUMITOMO CHEMICAL CO (JP) 2006-08-16 CN disclosed
CN-1270179-A Copolymer, production thereof and moulded products SUMITOMO CHEMICAL CO (JP) 2000-10-18 CN disclosed
CN-1266858-A Alpha-olefin copolymer, producing process thereof and its molded products SUMITOMO CHEMICAL CO (JP) 2000-09-20 CN disclosed
CN-1266068-A Copolymer of ethylene-alkene aromatic compound, its production method and moulding products SUMITOMO CHEMICAL CO (JP) 2000-09-13 CN disclosed
CN-1262695-A Thermoplastic elastomer composition powder, powder molding method using the same, and molded article SUMITOMO CHEMICAL CO (JP) 2000-08-09 CN disclosed
US-6084048-A SPECIFIED 1-BUTENE-PROPYLENE COPOLYMER WITH NO CRYSTALLINE MELTING PEAK AND NO CRYSTALLIZATION PEAK ACCORDING TO A DIFFERENTIAL SCANNING CALORIMETER MEASUREMENT; BLENDS WITH POLYOLEFINS HAVING FLEXIBILITY, ELONGATION, WEAR RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-04 US disclosed
CN-1053659-C Pesticidal 1-aryl-5-(substituted alkylideneimino) pyrazoles RHONE POULENC AGROCHIMIE (FR) 2000-06-21 CN disclosed
CN-1245174-A Copolymer and its productive process and moulded products containing same SUMITOMO CHEMICAL CO (JP) 2000-02-23 CN disclosed
CN-1205340-A Propylene coplymer SUMITOMO CHEMICAL CO (JP) 1999-01-20 CN disclosed
CN-1196732-A Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 1998-10-21 CN disclosed
EP-0842955-A2 Propylene-1-butene copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed