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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.56 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.56 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.56 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.51 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.50 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.50 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.50 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.50 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.50 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.50 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.50 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.50 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.50 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.46 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 3/20 | 0.76 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.76 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.73 |
| ▸ | PPARD | Q03181 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1966507 | 0.98 | NFKB1 (0.75) | BLMPMP22NFKB1ADRA2AADRA1A | |
| SCHEMBL7148550 | 0.98 | NFKB1 (0.75) | BLMPMP22NFKB1ADRA2AADRA1A | |
| SCHEMBL29633151 | 0.98 | NFKB1 (0.75) | BLMPMP22NFKB1ADRA2AADRA1A | |
| SCHEMBL15921910 | 0.98 | NFKB1 (0.75) | BLMPMP22NFKB1ADRA2AADRA1A | |
| Normetanephrine SCHEMBL1168235 | 0.86 | BLM (1.00) | BLMPMP22NFKB1ADRA2AADRA1A | |
| Hydrochloric Acid SCHEMBL15511462 | 0.85 | BLM (0.65) | BLMPMP22NFKB1ADRA2AADRA1A | |
| Hydrochloric Acid SCHEMBL6760975 | 0.85 | BLM (0.65) | BLMPMP22NFKB1ADRA2AADRA1A | |
| Hydrochloric Acid SCHEMBL2065261 | 0.85 | BLM (0.65) | BLMPMP22NFKB1ADRA2AADRA1A | |
| Hydrochloric Acid SCHEMBL2065125 | 0.85 | BLM (0.65) | BLMPMP22NFKB1ADRA2AADRA1A | |
| SCHEMBL7916052 | 0.84 | NFKB1 (0.61) | BLMPMP22NFKB1ADRA2AADRA1A |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5623074-A | DERIVATIVES OF 7-DIHYDROXYPHENYL-4,5,6,7-TETRAHYDROTHIAZOLO (4,5-C)PYRIDINE WHICH ACT ON DOPAMINE RECEPTORS; NEPHROVASCULAR DILATORS, DIURETICS, SIDE EFFECT REDUCTION | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1997-04-22 | — | — | US | disclosed |
| EP-0476156-B1 | SOLID ORAL PREPARATION CONTAINING CATECHOL COMPOUND | EISAI CO LTD (JP) | 1996-08-07 | — | — | EP | disclosed |
| EP-0399626-B1 | Substituted pyridine compounds, their production, and pharmaceutical compositions containing them | YAMANOUCHI PHARMA CO LTD (JP) | 1995-06-07 | — | — | EP | disclosed |
| US-5378849-A | Kidney vasodilators; orally administered | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1995-01-03 | — | — | US | disclosed |
| US-5292521-A | And an organic acid or salt | EISAI CO., LTD. (JP) | 1994-03-08 | — | — | US | disclosed |
| US-5204468-A | Nephrovascular dilators and diuretics; side effect reduction; administered by mouth | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1993-04-20 | — | — | US | disclosed |
| EP-0286293-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1992-07-01 | — | — | EP | disclosed |
| EP-0476156-A1 | SOLID ORAL PREPARATION CONTAINING CATECHOL COMPOUND | Eisai Co., Ltd. (JP) | 1992-03-25 | — | — | EP | disclosed |
| US-5079256-A | Administering to treat diseases of circulatory organs such as renal/cardiac insufficiency | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1992-01-07 | — | — | US | disclosed |
| US-5077406-A | Cyclization, deprotecting and salt formation | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1991-12-31 | — | — | US | disclosed |
| US-4966904-A | DILUROGENITAL DISORDERS; DILATION OF NEOPHROVASCULAR TRACTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1990-10-30 | — | — | US | disclosed |
| US-4876261-A | UROGENITAL DISORDERS; NEPHROVASCULAR DILATORS; ACT ON DOPAMINE RECEPTOR | YAMANOUCHI PHARMACEUTICAL CO., LTD. | 1989-10-24 | — | — | US | disclosed |
| EP-0286293-A1 | Substituted tetrahydroisoquinoline compounds, their production, and pharmaceutical compositions containing them | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1988-10-12 | — | — | EP | disclosed |
| EP-0040955-A2 | 3,4-Dihydroxyphenyltetrahydrothienopyridines | SMITHKLINE BECKMAN CORPORATION (US) | 1981-12-02 | — | — | EP | disclosed |
| US-4282227-A | Renal vasodilating 3,4-dihydroxyphenyltetrahydrothienopyridines | SMITHKLINE CORPORATION (US) | 1981-08-04 | — | — | US | disclosed |