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.
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 SCHEMBL6679013 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6679009 | 1.00 | — | — | |
| SCHEMBL7358703 | 0.98 | — | — | |
| SCHEMBL7358698 | 0.98 | — | — | |
| SCHEMBL6776367 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL6774075 | 0.84 | AHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL6773245 | 0.82 | SIRT2 (0.37) | — | |
| Hydrochloric Acid SCHEMBL6783940 | 0.73 | SIRT2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6773333 | 0.72 | MEN1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL6224156 | 0.69 | MEN1 (0.39) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1156999-B1 | METHOD FOR THE PREPARATION OF A CHIRAL-BETA-AMINO ESTER | SEARLE LLC (US) | 2004-11-17 | — | — | EP | disclosed |
| US-20040127477-A1 | Heterocyclic glycyl beta-alanine derivatives | G. D. SEARLE & CO. (US) | 2004-07-01 | — | — | US | disclosed |
| US-6689754-B1 | PIPERIDINE OR PYRIDINE DERIVATIVES; ALPHA V BETA 3 INTEGRIN ANTAGONISTS | G. D. SEARLE & CO. | 2004-02-10 | — | — | US | disclosed |
| US-20030050250-A1 | Alpha v beta 3 integrin antagonists in combination with chemotherapeutic agents | PHARMACIA CORPORATION | 2003-03-13 | — | — | US | disclosed |
| US-6372719-B1 | 1,4,5,6-TETRAHYDRO-5-HYDROXYPYRIMIDIN-2-AMINE DERIVATIVES ARE ADMINISTERED IN MIXTURE; ANTITUMOR AND ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION | G.D. SEARLE & CO. | 2002-04-16 | — | — | US | disclosed |
| EP-1161280-A1 | USE OF AN INTEGRIN ANTAGONIST AND A CHEMOTHERAPEUTIC AGENT IN THE TREATMENT OF NEOPLASIA | G.D. Searle & Co. (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1156999-A1 | METHOD FOR THE PREPARATION OF A CHIRAL-BETA-AMINO ESTER | G.D. SEARLE & CO. (US) | 2001-11-28 | — | — | EP | disclosed |
| EP-1070060-A1 | HETEROCYCLIC GLYCYL BETA-ALANINE DERIVATIVES AS VITRONECTIN ANTAGONISTS | G.D. Searle & Co. (US) | 2001-01-24 | — | — | EP | disclosed |
| US-6172256-B1 | USING A BLOCKING AGENT; DEBLOCKING WITH TRIMETHYLSILYL IODIDE | G.D. SEARLE & CO. | 2001-01-09 | — | — | US | disclosed |
| EP-1060164-A1 | META-AZACYCLIC AMINO BENZOIC ACID COMPOUNDS AND DERIVATIVES THEREOF BEING INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 2000-12-20 | — | — | EP | disclosed |
| WO-2000051686-A1 | USE OF INTEGRIN ANTAGONIST AND A CHEMOTHERAPEUTIC AGENT IN THE TREATMENT OF NEOPLASIA | G.D. SEARLE & CO. (US) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000051968-A1 | METHOD FOR THE PREPARATION OF A CHIRAL-BETA-AMINO ESTER | G.D. SEARLE & CO. (US) | 2000-09-08 | — | — | WO | disclosed |
| US-6100423-A | Amino benzenepropanoic acid compounds and derivatives thereof | G. D. SEARLE & CO. (US) | 2000-08-08 | — | — | US | disclosed |
| US-6013651-A | ANTITUMOR AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; SKIN DISORDERS | G. D. SEARLE & CO. (US) | 2000-01-11 | — | — | US | disclosed |
| WO-1999052896-A1 | HETEROCYCLIC GLYCYL BETA-ALANINE DERIVATIVES AS VITRONECTIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1999-10-21 | — | — | WO | disclosed |
| WO-1999044994-A1 | META-AZACYCLIC AMINO BENZOIC ACID COMPOUNDS AND DERIVATIVES THEREOF BEING INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1999-09-10 | — | — | WO | disclosed |