Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3101407

Cl.Nc1nc(N)c2nc(CO)cnc2n1

nearest known ligand 0.55

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 4)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.50
NOS1 P29475 1/20 0.52
DHFR P00374 1/20 0.50
CA1 P00915 1/20 0.50

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 SCHEMBL29568011 1.00 NOS1 (0.52) NOS1DHFRCA1CA2
SCHEMBL30311333 0.98 NOS1 (0.54) NOS1DHFRCA1CA2
SCHEMBL64019 0.98 NOS1 (0.54) NOS1DHFRCA1CA2
Bromide SCHEMBL29695408 0.97 NOS1 (0.52) NOS1DHFRCA1CA2
Bromide SCHEMBL62895 0.97 NOS1 (0.52) NOS1DHFRCA1CA2
Bromide SCHEMBL28586331 0.95 NOS1 (0.51) NOS1DHFRCA1CA2
SCHEMBL11327528 0.84 PIK3CG (0.50) NOS1CA1CA2
SCHEMBL31087253 0.84 PIK3CG (0.50) NOS1CA1CA2
Bromide SCHEMBL11634826 0.83 DHFR (0.50) DHFR
Hydrochloric Acid SCHEMBL6448505 0.83 NOS1 (0.52) NOS1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4549472-A2 COMPOSITIONS FOR SUNSCREEN COMPOUNDS AND METHODS THEREOF PMIDG, LLC (US) 2025-05-07 EP disclosed
EP-4013374-B1 COMPOSITIONS FOR SUNSCREEN COMPOUNDS AND METHODS THEREOF PMIDG LLC (US) 2025-02-19 EP disclosed
US-12163955-B2 Antibodies to methotrexate and uses thereof ARK DIAGNOSTICS, INC. (US) 2024-12-10 US disclosed
US-20240319176-A1 ANTIBODIES TO METHOTREXATE AND USES THEREOF ARES CAPITAL CORPORATION, AS ADMINISTRATIVE AGENT 2024-09-26 US disclosed
US-20220296485-A1 COMPOSITIONS FOR SUNSCREEN COMPOUNDS AND METHODS THEREOF PMIDG, LLC 2022-09-22 US disclosed
US-20220241429-A1 Antifolate-Carrying Nanoparticles and Their Use in Medicine MIDATECH LTD (GB) 2022-08-04 US disclosed
EP-4013374-A1 COMPOSITIONS FOR SUNSCREEN COMPOUNDS AND METHODS THEREOF PMIDG, LLC (US) 2022-06-22 EP disclosed
CN-114555038-A Compositions and methods for sunscreen compounds 普米戴格有限公司 2022-05-27 CN disclosed
EP-3893938-A1 ANTIFOLATE-CARRYING NANOPARTICLES AND THEIR USE IN MEDICINE Midatech Ltd (GB) 2021-10-20 EP disclosed
WO-2021034834-A1 COMPOSITIONS FOR SUNSCREEN COMPOUNDS AND METHODS THEREOF PMIDG, LLC (US) 2021-02-25 WO disclosed
EP-2234998-A2 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION Tydock Pharma S.r.l. (IT) 2010-10-06 EP disclosed
US-20100227798-A1 USE OF THE STAUDINGER LIGATION IN IN VIVO ASSEMBLY OF A BIOLOGICALLY ACTIVE COMPOUND KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2010-09-09 US disclosed
WO-2009080367-A2 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCKPHARMA S.R.L. (IT) 2009-07-02 WO disclosed
EP-2001512-A2 USE OF THE STAUDINGER LIGATION IN IN VIVO ASSEMBLY OF A BIOLOGICALLY ACTIVE COMPOUND Koninklijke Philips Electronics N.V. (NL) 2008-12-17 EP disclosed
WO-2007110811-A2 USE OF THE STAUDINGER LIGATION IN IN VIVO ASSEMBLY OF A BIOLOGICALLY ACTIVE COMPOUND KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2007-10-04 WO disclosed
US-20060035901-A1 Methotrexate derivatives useful for treating cancer and arthritis SERENEX, INC. (US) 2006-02-16 US disclosed
WO-2006014706-A2 METHOTREXATE DERIVATIVES USEFUL FOR TREATING CANCER AND ARTHRITIS SERENEX, INC. (US) 2006-02-09 WO disclosed
EP-0154173-B1 PTERIDINE DERIVATIVES, AN ANTICANCER COMPOSITION CONTAINING SAME AND A PROCESS FOR THE PRODUCTION OF SAID DERIVATIVES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-01-08 EP disclosed
US-4820706-A Pteridine derivatives and method of treating leukemia employing same RESEARCH CORPORATION (US) 1989-04-11 US disclosed
EP-0154173-A2 Pteridine derivatives, an anticancer composition containing same and a process for the production of said derivatives RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1985-09-11 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 (5 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-20240319176-A1 ANTIBODIES TO METHOTREXATE AND USES THEREOF MTX1, DHFR, MTX2 CA2 3763/4885NOS1 3797/4885DHFR 2/4885
US-20220296485-A1 COMPOSITIONS FOR SUNSCREEN COMPOUNDS AND METHODS THEREOF NQO1, XPA, ERCC1 CA2 4032/4885NOS1 2219/4885DHFR 1243/4885
US-12163955-B2 Antibodies to methotrexate and uses thereof MTX1, DHFR, MTX2 CA2 3763/4885NOS1 3797/4885DHFR 2/4885
US-20060035901-A1 Methotrexate derivatives useful for treating cancer and arthritis EGFR, ERBB2, MET CA2 4231/4885NOS1 3913/4885DHFR 12/4885
US-20220241429-A1 Antifolate-Carrying Nanoparticles and Their Use in Medicine FOLR1, FOLR2, SLC19A1 CA2 748/4885NOS1 861/4885DHFR 4/4885

“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.