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 SCHEMBL7159952 | 0.86 | — | — | |
| SCHEMBL7253220 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7144181 | 0.80 | NPSR1 (0.34) | — | |
| SCHEMBL7104093 | 0.80 | NPSR1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL7156752 | 0.79 | MC3R (0.31) | — | |
| SCHEMBL7465555 | 0.78 | MC3R (0.31) | — | |
| SCHEMBL7104014 | 0.69 | OPRM1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL7148146 | 0.69 | F2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL7146333 | 0.68 | CTSD (0.32) | — | |
| Hydrochloric Acid SCHEMBL7144856 | 0.68 | CYP3A4 (0.32) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1110968-B1 | Intermediate for the preparation of Thrombininhibitors as anticoagulant agents | LILLY CO ELI (US) | 2003-10-01 | — | — | EP | disclosed |
| US-6552038-B1 | For use as thrombin inhibitors, coagulation inhibitors and agents for therapy of thromboembolic disorders | ELI LILLY AND COMPANY | 2003-04-22 | — | — | US | disclosed |
| US-6534650-B2 | Thrombin inhibitors | ELI LILLY AND COMPANY | 2003-03-18 | — | — | US | disclosed |
| EP-0816376-B1 | Trombin inhibitors as anticoagulant agents | LILLY CO ELI (US) | 2002-11-06 | — | — | EP | disclosed |
| US-20010018423-A1 | Anticoagulant agents | KLIMKOWSKI VALENTINE J (US) | 2001-08-30 | — | — | US | disclosed |
| EP-1110968-A1 | Thrombininhibitors as anticoagulant agents | Eli Lilly & Company (US) | 2001-06-27 | — | — | EP | disclosed |
| US-6200967-B1 | USED AS THROMBIN INHIBITORS, COAGULATION INHIBITORS AND AGENTS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS | ELI LILLY AND COMPANY | 2001-03-13 | — | — | US | disclosed |
| US-6160176-A | Anticoagulant agents | ELI LILLY AND COMPANY (US) | 2000-12-12 | — | — | US | disclosed |
| US-6034104-A | CARDIOVASCULAR DISORDERS | ELI LILLY AND COMPANY (US) | 2000-03-07 | — | — | US | disclosed |
| US-6008367-A | NITRILE AND AMINO SUBSTITUTED ISOOXAZOLE DERIVATIVE | ELI LILLY AND COMPANY (US) | 1999-12-28 | — | — | US | disclosed |
| EP-0816376-A1 | Trombin inhibitors as anticoagulant agents | ELI LILLY AND COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |
| WO-1997049404-A1 | ANTICOAGULANT AGENTS | ELI LILLY AND COMPANY (US) | 1997-12-31 | — | — | WO | disclosed |