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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 4/20 | 0.59 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.59 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | PSMB1 | P20618 | 6/20 | 0.76 |
| ▸ | PSMB5 | P28074 | 6/20 | 0.76 |
| ▸ | PSMB2 | P49721 | 4/20 | 0.76 |
| ▸ | LTA4H | P09960 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.56 |
| ▸ | GCGR | P47871 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HLA-A | P04439 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7443953 | 0.99 | PSMB1 (0.78) | PSMB1PSMB5PSMB2LTA4HESR1 | |
| Hydrochloric Acid SCHEMBL8475814 | 0.99 | PSMB1 (0.73) | PSMB1PSMB5PSMB2LTA4HESR1 | |
| Water SCHEMBL8476448 | 0.98 | PSMB1 (0.76) | PSMB1PSMB5PSMB2LTA4HESR1 | |
| SCHEMBL4543175 | 0.97 | PSMB1 (0.75) | PSMB1PSMB5PSMB2LTA4HESR1 | |
| Water SCHEMBL8476776 | 0.96 | PSMB1 (0.73) | PSMB1PSMB5PSMB2LTA4HESR1 | |
| SCHEMBL8337044 | 0.93 | KDM4E (0.68) | PSMB1PSMB5PSMB2LTA4HESR1 | |
| SCHEMBL7450424 | 0.91 | KDM4E (0.67) | PSMB1PSMB5PSMB2LTA4HKDM4E | |
| SCHEMBL8641421 | 0.89 | PSMB1 (0.62) | PSMB1PSMB5PSMB2LTA4HESR1 | |
| Citric Acid SCHEMBL8478591 | 0.88 | PSMB1 (0.61) | PSMB1PSMB5PSMB2LTA4HESR1 | |
| SCHEMBL7447270 | 0.87 | SMN1; SMN2 (0.61) | PSMB1PSMB5PSMB2LTA4HKDM4E |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5811437-A | TREATING CARDIOVASCULAR DISORDER, GASTROINTESTINAL DISORDER, NERVOUS SYSTEM DISORDER RELATED TO REDUCED ENDOTHELIAL NITRIC OXIDE PRODUCTION | ELI LILLY AND COMPANY (US) | 1998-09-22 | — | — | US | claimed |
| US-5731342-A | FOR TREATING AND PREVENTING POSTMENOPAUSAL SYNDROME AND BREAST CANCER | ELI LILLY AND COMPANY (US) | 1998-03-24 | — | — | US | claimed |
| US-5962698-A | PLASMINOGEN ACTIVATOR INHIBITOR | ELI LILLY AND COMPANY (US) | 1999-10-05 | — | — | US | disclosed |
| US-5948795-A | PLASMINOGEN ACTIVATOR INHIBITOR | ELI LILLY AND COMPANY (US) | 1999-09-07 | — | — | US | disclosed |
| US-5948796-A | OSTEOPOROSIS, CANCER, CARDIOVASCULAR DISORDERS | ELI LILLY AND COMPANY (US) | 1999-09-07 | — | — | US | disclosed |
| EP-0863755-A4 | ANTITHROMBOTIC DIAMINES | LILLY CO ELI (US) | 1999-01-20 | — | — | EP | disclosed |
| EP-0863755-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1998-09-16 | — | — | EP | disclosed |
| US-5808061-A | Intermediates and processes for preparing benzothiophene compounds | ELI LILLY AND COMPANY (US) | 1998-09-15 | — | — | US | disclosed |
| US-5798351-A | USEFUL FOR INHIBITING BONE LOSS, LOWERING SEUM CHOLESTEROL LEVELS AND TREATING HORMONE DEPENDENT MAMMALIAN BREAST AND UTERINE CANCER | ELI LILLY AND COMPANY (US) | 1998-08-25 | — | — | US | disclosed |
| WO-1997025033-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1997-07-17 | — | — | WO | disclosed |