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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29358906 | 1.00 | KDM4E (0.50) | KDM4ENPSR1CYP3A4THRBTSHR | |
| Hydrochloric Acid SCHEMBL1793247 | 1.00 | KDM4E (0.50) | KDM4ENPSR1CYP3A4THRBTSHR | |
| Hydrochloric Acid SCHEMBL1793245 | 1.00 | KDM4E (0.50) | KDM4ENPSR1CYP3A4THRBTSHR | |
| SCHEMBL9652240 | 0.98 | KDM4E (0.51) | KDM4ENPSR1CYP3A4THRBTSHR | |
| SCHEMBL3250771 | 0.98 | KDM4E (0.51) | KDM4ENPSR1CYP3A4THRBTSHR | |
| SCHEMBL3250768 | 0.98 | KDM4E (0.51) | KDM4ENPSR1CYP3A4THRBTSHR | |
| SCHEMBL3250767 | 0.98 | KDM4E (0.51) | KDM4ENPSR1CYP3A4THRBTSHR | |
| SCHEMBL9652237 | 0.98 | KDM4E (0.51) | KDM4ENPSR1CYP3A4THRBTSHR | |
| SCHEMBL11059909 | 0.81 | CYP3A4 (0.43) | KDM4ENPSR1CYP3A4THRBTSHR | |
| SCHEMBL9652192 | 0.80 | MAPT (0.45) | KDM4ENPSR1CYP3A4THRBTSHR |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110229923-A1 | CRYSTAL OF A CYTOCHROME-LIGAND COMPLEX AND METHODS OF USE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2011-09-22 | — | — | US | claimed |
| EP-1893993-A4 | CRYSTAL OF A CYTOCHROME-LIGAND COMPLEX AND METHODS OF USE | SCRIPPS RESEARCH INST (US) | 2009-05-13 | — | — | EP | claimed |
| US-20090022732-A1 | Crystal of a cytochrome-ligand complex and methods of use | THE SCRIPPS RESEARCH INSTITUTE | 2009-01-22 | — | — | US | claimed |
| EP-1893993-A2 | CRYSTAL OF A CYTOCHROME-LIGAND COMPLEX AND METHODS OF USE | The Scripps Research Institute (US) | 2008-03-05 | — | — | EP | claimed |
| WO-2006130781-A2 | CRYSTAL OF A CYTOCHROME-LIGAND COMPLEX AND METHODS OF USE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2006-12-07 | — | — | WO | claimed |
| JP-7304689-A | — | — | None | — | — | JP | disclosed |
| JP-9187300-A | — | — | None | — | — | JP | disclosed |
| JP-9227411-A | — | — | None | — | — | JP | disclosed |
| US-8076457-B2 | Crystal of a cytochrome-ligand complex and methods of use | THE SCRIPPS RESEARCH INSTITUTE (US) | 2011-12-13 | — | — | US | disclosed |
| US-20110229923-A1 | CRYSTAL OF A CYTOCHROME-LIGAND COMPLEX AND METHODS OF USE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2011-09-22 | — | — | US | disclosed |
| US-7953557-B2 | Crystal of a cytochrome-ligand complex and methods of use | THE SCRIPPS RESEARCH INSTITUTE (US) | 2011-05-31 | — | — | US | disclosed |
| EP-1893993-A4 | CRYSTAL OF A CYTOCHROME-LIGAND COMPLEX AND METHODS OF USE | SCRIPPS RESEARCH INST (US) | 2009-05-13 | — | — | EP | disclosed |
| US-20040091909-A1 | High throughput cytochrome P450 genotyping | HUANG DOUG HUI (US) | 2004-05-13 | — | — | US | disclosed |
| WO-2001032928-A9 | METHODS OF DETERMINING INDIVIDUAL HYPERSENSITIVITY TO AN AGENT | PHASE 1 MOLECULAR TOXICOLOGY (US) | 2002-05-16 | — | — | WO | disclosed |
| US-6323325-B1 | Agents that bind to and inhibit human cytochrome P450 2A6 | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2001-11-27 | — | — | US | disclosed |
| WO-2001032928-A2 | METHODS OF DETERMINING INDIVIDUAL HYPERSENSITIVITY TO AN AGENT | PHASE-1 MOLECULAR TOXICOLOGY (US) | 2001-05-10 | — | — | WO | disclosed |
| WO-2000004861-A2 | AGENTS THAT BIND TO AND INHIBIT HUMAN CYTOCHROME P450 2A6 | THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-02-03 | — | — | WO | disclosed |
| JP-H09227411-A | THERAPEUTIC AGENT FOR NEUROPATHY DUE TO SPINAL CORD INJURY | SUMITOMO PHARMACEUT CO LTD | 1997-09-02 | — | — | JP | disclosed |
| JP-H09187300-A | GENETIC DIAGNOSIS USING HUMAN CYP2A6 GENE | SUMITOMO PHARMACEUT CO LTD | 1997-07-22 | — | — | JP | disclosed |
| JP-H07304689-A | TREATING MEDICINE FOR FULMINANT HEPATITIS AND ACUTE HEPATIC INSUFFICIENCY | SUMITOMO PHARMACEUT CO LTD | 1995-11-21 | — | — | JP | disclosed |