Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6067927

Cl.O=C(O)COc1cccnc1

nearest known ligand 0.60

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 1/20 0.47
▸ ALOX15 P16050 2/20 0.60
▸ NOTUM Q6P988 1/20 0.55
▸ NAMPT P43490 1/20 0.52
▸ MAPT P10636 1/20 0.49
▸ CHRNB2 P17787 3/20 0.49
▸ CHRNA4 P43681 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NAPRT Q6XQN6 1/20 0.49
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CCNC P24863 1/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ KMT2A Q03164 1/20 0.46

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 SCHEMBL29642862 1.00 ALOX15 (0.60) ALOX15NOTUMNAMPTMAPTCHRNB2
SCHEMBL2009003 0.98 ALOX15 (0.62) ALOX15NOTUMNAMPTMAPTCHRNB2
Trifluoroacetic Acid SCHEMBL2413465 0.89 ALOX15 (0.51) ALOX15NOTUMNAMPTMAPTCHRNB2
SCHEMBL10669859 0.82 CYP4F2 (0.51) NOTUMCHRNB2CHRNA4KMT2A
SCHEMBL13113159 0.82 CHRNB2 (0.53) NOTUMNAMPTMAPTCHRNB2CHRNA4
SCHEMBL1814097 0.82 MAPT (0.52) NOTUMNAMPTMAPTCHRNB2CHRNA4
SCHEMBL30588953 0.82 MAPT (0.52) NOTUMNAMPTMAPTCHRNB2CHRNA4
SCHEMBL2394585 0.81 PLOD2 (0.58) NOTUMNAMPTMAPTLMNAKMT2A
SCHEMBL15517627 0.81 KMO (0.55) ALOX15NOTUMLMNACA12CA1
SCHEMBL15429528 0.81 CHRNB2 (0.56) CHRNB2CHRNA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2024-12-19 — — US disclosed
US-12116351-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2024-10-15 — — US disclosed
WO-2024204554-A1 SPIROCYCLIC MORPHINAN DERIVATIVE 日本ケミファ株式会社 2024-10-03 — — WO disclosed
US-20220380322-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2022-12-01 — — US disclosed
US-11434207-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2022-09-06 — — US disclosed
CN-114671864-A Heteroaryl substituted pyridines and methods of use 艾伯维公司 2022-06-28 — — CN disclosed
CN-109311864-B Heteroaryl substituted pyridines and methods of use 艾伯维公司 2022-05-10 — — CN disclosed
CN-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 — — CN disclosed
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2020-07-16 — — US disclosed
CN-111333588-A P2X4 receptor antagonists 日本化学药品株式会社 2020-06-26 — — CN disclosed
US-20170349576-A1 HETEROARYL SUBSTITUTED PYRIDINES AND METHODS OF USE ABBVIE S.Á.R.L. (LU) 2017-12-07 — — US disclosed
EP-2803662-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2017-03-01 — — EP disclosed
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2016-09-29 — — US disclosed
US-9382236-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2016-07-05 — — US disclosed
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2014-12-04 — — US disclosed
EP-2803662-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2014-11-19 — — EP disclosed
US-7101891-B2 Compounds and pharmaceutical compositions for inhibiting MRP1 ELI LILLY AND COMPANY (US) 2006-09-05 — — US disclosed
US-20040116460-A1 Compounds and pharmaceutical compositions for inhibiting mrp1 COHEN JEFFREY DANIEL (US) 2004-06-17 — — US disclosed
EP-1392701-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2004-03-03 — — EP disclosed
WO-2002081480-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-17 — — WO 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 (8 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-20220380322-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA2 513/4885ALOX15 1857/4885NOTUM 3553/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA2 505/4885ALOX15 2387/4885NOTUM 4236/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 CA2 513/4885ALOX15 1857/4885NOTUM 3553/4885
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA2 509/4885ALOX15 1845/4885NOTUM 3548/4885
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA2 513/4885ALOX15 1857/4885NOTUM 3553/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA2 513/4885ALOX15 1857/4885NOTUM 3553/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 CA2 513/4885ALOX15 1857/4885NOTUM 3553/4885
US-20170349576-A1 HETEROARYL SUBSTITUTED PYRIDINES AND METHODS OF USE CFTR, P2RX2, P2RX1 CA2 2581/4885ALOX15 2281/4885NOTUM 3453/4885

“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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