Hydrochloric Acid

Hydrochloric Acid

SCHEMBL197142

Cl.[Ni].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

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 8)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 4/20 0.35
ESR2 known ✓ Q92731 4/20 0.35
GAA known ✓ P10253 1/20 0.31
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CALM1 P0DP23 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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 SCHEMBL8513422 1.00 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2CALM1
SCHEMBL1705969 0.97 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2CALM1
Hydrochloric Acid SCHEMBL5081299 0.97 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2CALM1
Hydrochloric Acid SCHEMBL30288225 0.97 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2CALM1
SCHEMBL956408 0.97 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2CALM1
Hydrochloric Acid SCHEMBL8623596 0.94 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2CALM1
Hydrochloric Acid SCHEMBL8488594 0.94 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2CALM1
SCHEMBL27343 0.94 CYP3A4 (0.50) CYP3A4TDP1ESR1ESR2CALM1
Phosphine SCHEMBL25423478 0.91 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2CALM1
SCHEMBL9803502 0.91 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022252789-A1 METHOD FOR PREPARING JAK INHIBITOR KEY INTERMEDIATE 山东莱福科技发展有限公司 2022-12-08 WO claimed
EP-3275881-B1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO LTD (CN) 2021-08-04 EP claimed
US-10100051-B2 Compound of 5-hydroxyl-1,7-naphthyridine substituted by aryloxy or heteroaryloxy, preparation method thereof and pharmaceutical use thereof SHENYANG SUNSHINE PHARMACEUTICAL CO. LTD. (CN) 2018-10-16 US claimed
US-20180118739-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROARYLOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO., LTD. (CN) 2018-05-03 US claimed
EP-3275881-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Shenyang Sunshine Pharmaceutical Co., Ltd. (CN) 2018-01-31 EP claimed
EP-2083033-B1 Organic semiconducting copolymer and organic electronic device including the same SAMSUNG ELECTRONICS CO LTD (KR) 2012-04-18 EP claimed
US-7777221-B2 Organic semiconducting copolymer and organic electronic device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-08-17 US claimed
US-20090189150-A1 Organic semiconducting copolymer and organic electronic device including the same SAMSUNG ELECTRONICS CO., LTD. 2009-07-30 US claimed
EP-2083033-A1 Organic semiconducting copolymer and organic electronic device including the same Samsung Electronics Co., Ltd. (KR) 2009-07-29 EP claimed
US-RE40813-E1 Polythiophenes, block copolymers made therefrom, and methods of forming the same CARNEGIE MELLON UNIVERSITY (US) 2009-06-30 US claimed
US-20060155105-A1 Halogenated thiophene monomer for the preparation of regioregular polythiophenes HONEYWELL INTERNATIONAL INC. 2006-07-13 US claimed
US-20060155134-A1 Process for the kumada coupling reaction HONEYWELL INTERNATIONAL INC. 2006-07-13 US claimed
EP-1028136-B1 A method of forming poly-(3-substituted) thiophenes UNIV CARNEGIE MELLON (US) 2006-05-24 EP claimed
US-20050080219-A1 Process of preparing regioregular polymers MERCK PATENT GMBH (DE) 2005-04-14 US claimed
US-20040030091-A1 Lightweight, electroconductivity, heat resistance MCCULLOUGH RICHARD D (US) 2004-02-12 US claimed
US-20040024171-A1 Stereospecific electroconductive polymers such as polyhexylthiophene-polystyrene or -polymethylacrylate copolymers, used as light emitting diodes, biosensors, transistors, displays or optical apparatus MCCULLOUGH RICHARD D (US) 2004-02-05 US claimed
US-6602974-B1 Conducting polymers, head-to-tail coupled regioregular polythiophenes, poly-(3-substituted) thiophene diol CARNEGIE MELLON UNIVERSITY 2003-08-05 US claimed
US-6166172-A Method of forming poly-(3-substituted) thiophenes CARNEGIE MELLON UNIVERSITY (US) 2000-12-26 US claimed
EP-1028136-A2 A method of forming poly-(3-substituted) thiophenes CARNEGIE-MELLON UNIVERSITY (US) 2000-08-16 EP claimed
US-5874628-A Method for preparation of tertiary phosphines via nickel-catalyzed cross coupling MONSANTO COMPANY (US) 1999-02-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20180118739-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROARYLOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF HIF1AN, EGLN3, EGLN2 ESR1 249/4885ESR2 160/4885GAA 1071/4885
US-10100051-B2 Compound of 5-hydroxyl-1,7-naphthyridine substituted by aryloxy or heteroaryloxy, preparation method thereof and pharmaceutical use thereof HIF1AN, EGLN3, EGLN2 ESR1 249/4885ESR2 160/4885GAA 1071/4885
US-20060155134-A1 Process for the kumada coupling reaction KMT5A, KMT5C, KCNT1 ESR1 3928/4885ESR2 4279/4885GAA 4260/4885

“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.