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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 5/20 | 0.67 |
| ▸ | ESR2 known ✓ | Q92731 | 3/20 | 0.67 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.50 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 6/20 | 0.60 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.52 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.52 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.51 |
| ▸ | GCGR | P47871 | 1/20 | 0.48 |
| ▸ | EBP | Q15125 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13897595 | 0.99 | ESR1 (0.66) | ESR1ESR2LTA4HPSMB1PSMB5 | |
| Hydrochloric Acid SCHEMBL3872526 | 0.99 | ESR1 (0.66) | ESR1ESR2LTA4HPSMB1PSMB5 | |
| SCHEMBL13897796 | 0.98 | ESR1 (0.64) | ESR1ESR2LTA4HPSMB1PSMB5 | |
| SCHEMBL6594554 | 0.94 | ESR1 (0.71) | ESR1ESR2LTA4HPSMB1PSMB5 | |
| Hydrochloric Acid SCHEMBL3861528 | 0.90 | ESR1 (0.76) | ESR1ESR2LTA4HPSMB1PSMB5 | |
| SCHEMBL13897645 | 0.89 | ESR1 (0.74) | ESR1ESR2LTA4HPSMB1PSMB5 | |
| SCHEMBL13897814 | 0.89 | ESR1 (0.74) | ESR1ESR2LTA4HPSMB1PSMB5 | |
| Hydrochloric Acid SCHEMBL3865294 | 0.89 | ESR1 (0.70) | ESR1ESR2LTA4HPSMB1PSMB5 | |
| SCHEMBL13897535 | 0.88 | ESR1 (0.72) | ESR1ESR2LTA4HPSMB1PSMB5 | |
| SCHEMBL7110626 | 0.88 | ESR1 (0.59) | ESR1ESR2LTA4HPSMB1PSMB5 |
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 |
|---|---|---|---|---|---|---|---|
| US-7501441-B1 | Naphthyl compounds, intermediates, processes, compositions, and methods | ELI LILLY AND COMPANY (US) | 2009-03-10 | — | — | US | disclosed |
| US-6437137-B1 | REDUCING (NAPHTHALEN-1-YL)(4-(2-(1-PIPERDINYL)ETHOXY) PHENYL)METHANONE WITH A REDUCING AGENT IN THE PRESENCE OF A SOLVENT, HEATING TO REFLUX; FORMING (NAPHTHALEN-1-YL)(4-(2-(1-PIPERDINYL)ETHOXY)PHENYL)METHANE | ELI LILLY AND COMPANY | 2002-08-20 | — | — | US | disclosed |
| EP-0702961-B1 | Compositions for minimizing the uterotrophic effect of tamoxifen and its analogs | LILLY CO ELI (US) | 2002-07-24 | — | — | EP | disclosed |
| US-6410564-B1 | Naphthyl compounds, intermediates, processes, compositions, and methods | ELI LILLY AND COMPANY | 2002-06-25 | — | — | US | disclosed |
| EP-0703228-B1 | Naphthyl compounds, intermediates, processes, compositions involving them | LILLY CO ELI (US) | 2002-03-06 | — | — | EP | disclosed |
| US-5658931-A | ADMINISTERING A MIXTURE OF ANTIESTROGENS | ELI LILLY AND COMPANY (US) | 1997-08-19 | — | — | US | disclosed |
| US-5554628-A | A 1-(4-ALKOXYPHENYL-)NAPHTHALENE COMPOUND | ELI LILLY AND COMPANY (US) | 1996-09-10 | — | — | US | disclosed |
| WO-1996009051-A1 | A METHOD FOR MINIMIZING THE UTEROTROPHIC EFFECT OF TAMOXIFEN AND TAMOXIFEN ANALOGS | ELI LILLY AND COMPANY (US) | 1996-03-28 | — | — | WO | disclosed |
| WO-1996009052-A1 | A METHOD FOR INHIBITING MAMMALIAN BREAST CARCINOMA WITH TAMOXIFEN, AND ANALOGS THEREOF, AND CERTAIN NAPHTHYL COMPOUNDS | ELI LILLY AND COMPANY (US) | 1996-03-28 | — | — | WO | disclosed |
| WO-1996009039-A1 | NAPHTHYL COMPOUNDS, INTERMEDIATES, PROCESSES, COMPOSITIONS, AND METHODS | ELI LILLY AND COMPANY (US) | 1996-03-28 | — | — | WO | disclosed |
| EP-0702961-A2 | Compositions for minimizing the uterotrophic effect of tamoxifen and its analogs | ELI LILLY AND COMPANY (US) | 1996-03-27 | — | — | EP | disclosed |
| EP-0703228-A1 | Naphthyl compounds, intermediates, processes, compositions involving them | ELI LILLY AND COMPANY (US) | 1996-03-27 | — | — | EP | disclosed |
| EP-0702962-A2 | Preparations for inhibiting mammalian breast carcinoma with tamoxifen and analogs thereof, and certain naphthyl compounds | ELI LILLY AND COMPANY (US) | 1996-03-27 | — | — | EP | disclosed |
| US-5484796-A | Naphthyl compounds, intermediates, processes, compositions, and method of inhibiting aortal smooth muscle cell proliferation | ELI LILLY AND COMPANY (US) | 1996-01-16 | — | — | US | disclosed |
| US-5484795-A | Naphthyl compounds, intermediates, processes, compositions, and method of inhibiting restenosis | ELI LILLY AND COMPANY (US) | 1996-01-16 | — | — | US | disclosed |
| US-5484797-A | Naphthly compounds, intermediates, processes, compositions, and method for inhibiting endometrosis | ELI LILLY AND COMPANY (US) | 1996-01-16 | — | — | US | disclosed |