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 | |
|---|---|---|---|---|
| SCHEMBL3389290 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL182034 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL8472312 | 0.82 | — | — | |
| Iodomethane SCHEMBL8880489 | 0.77 | — | — | |
| SCHEMBL17599756 | 0.76 | — | — | |
| SCHEMBL28239800 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5484382 | 0.74 | — | — | |
| SCHEMBL28480240 | 0.73 | — | — | |
| SCHEMBL9711018 | 0.73 | CYP1A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7443173 | 0.72 | SIGMAR1 (0.33) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6063919-A | ESTERIFICATION OF O-DEPROTECTED DIBENZYL EXOCHELIC ACID WITH BENZYL EPI-COBACTIN, HYDROGENOLYTICALLY REMOVING THE THREE BENZYL GROUPS TO FORM EXOCHELIN 786SM(R) | KEYSTONE BIOMEDICAL, INC. (US) | 2000-05-16 | — | — | US | claimed |
| US-8026109-B2 | Hapten-carrier conjugates for treating and preventing nicotine addiction | NABI BIOPHARMACEUTICALS, INC. (US) | 2011-09-27 | — | — | US | disclosed |
| US-20110217320-A1 | HAPTEN-CARRIER CONJUGATES FOR TREATING AND PREVENTING NICOTINE ADDICTION | NABI BIOPHARMACEUTICALS | 2011-09-08 | — | — | US | disclosed |
| EP-2324855-A1 | Hapten-carrier conjugates for treating and preventing nicotine addiction | Nabi Biopharmaceuticals (US) | 2011-05-25 | — | — | EP | disclosed |
| US-20110002957-A1 | HAPTEN-CARRIER CONJUGATES FOR TREATING AND PREVENTING NICOTINE ADDICTION | NABI BIOPHARMACEUTICALS | 2011-01-06 | — | — | US | disclosed |
| US-7776620-B2 | Nicotine hapten where nicotine in which the pyrrolidine ring is substituted by an omega-carboxy-, -amino-, -formyl- or -mercapto-alkyl group; useful in formulating vaccines for active immunization; preventing nicotine addiction | NABI BIOPHARMACEUTICALS (US) | 2010-08-17 | — | — | US | disclosed |
| US-20090047745-A1 | BULK NEGATIVE INDEX OF REFRACTION MATERIALS WITH RESPONSE IN THE VISIBLE | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2009-02-19 | — | — | US | disclosed |
| US-20080026000-A1 | Nicotine hapten where nicotine in which the pyrrolidine ring is substituted by an omega-carboxy-, -amino-, -formyl- or -mercapto-alkyl group; useful in formulating vaccines for active immunization; preventing nicotine addiction | NABI BIOPHARMACEUTICALS | 2008-01-31 | — | — | US | disclosed |
| US-7247502-B2 | Hapten-carrier conjugates for treating and preventing nicotine addiction | NABI BIOPHARMACEUTICALS (US) | 2007-07-24 | — | — | US | disclosed |
| US-20050136047-A1 | Nicotine hapten that is nicotine in which the pyrrolidine ring is substituted by an omega-carboxy-, -amino-, -formyl- or -mercapto-alkyl group; useful in formulating vaccines for active immunization | NABI BIOPHARMACEUTICALS | 2005-06-23 | — | — | US | disclosed |
| EP-1512414-A1 | Hapten-carrier conjugates for treating and preventing nicotine addiction | Nabi Biopharmaceuticals (US) | 2005-03-09 | — | — | EP | disclosed |
| EP-1135166-B9 | HAPTEN-CARRIER CONJUGATES FOR TREATING AND PREVENTING NICOTINE ADDICTION | NABI BIOPHARMACEUTICALS (US) | 2005-02-02 | — | — | EP | disclosed |
| EP-1135166-B1 | HAPTEN-CARRIER CONJUGATES FOR TREATING AND PREVENTING NICOTINE ADDICTION | NABI BIOPHARMACEUTICALS (US) | 2004-10-13 | — | — | EP | disclosed |
| US-6773891-B2 | INDUCING THE PRODUCTION OF ANTIBODIES, IN VIVO, THAT SPECIFICALLY BIND TO NICOTINE. THESE CONJUGATES COMPRISE A NICOTINE HAPTEN CONJUGATED TO AN IMMUNOGENIC CARRIER PROTEIN. THE NOVEL CONJUGATES PRESERVE THE CHIRALITY OF NICOTINE IN | NABI BIOPHARMACEUTICALS, INC. | 2004-08-10 | — | — | US | disclosed |
| US-20030165950-A1 | Inducing the production of antibodies, in vivo, that specifically bind to nicotine. These conjugates comprise a nicotine hapten conjugated to an immunogenic carrier protein. The novel conjugates preserve the chirality of nicotine in | NABI, INC. | 2003-09-04 | — | — | US | disclosed |
| US-6518031-B2 | Generating nicotine antibodies in situ | NABI | 2003-02-11 | — | — | US | disclosed |
| US-20020004208-A1 | Generating nicotine antibodies in situ | NABI BIOPHARMACEUTICALS | 2002-01-10 | — | — | US | disclosed |
| US-6232082-B1 | VACCINES | NABI | 2001-05-15 | — | — | US | disclosed |