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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 7/20 | 0.82 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.74 |
| ▸ | DRD4 known ✓ | P21917 | 2/20 | 0.74 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.70 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.70 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.67 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.67 |
| ▸ | KDM1A | O60341 | 2/20 | 0.74 |
| ▸ | TBXA2R | P21731 | 7/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.70 |
| ▸ | ALPL | P05186 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL13344579 | 0.99 | ADRB2 (0.85) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| SCHEMBL3554423 | 0.99 | ADRB2 (0.85) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| SCHEMBL3552585 | 0.99 | ADRB2 (0.85) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| Bromide SCHEMBL3548835 | 0.97 | ADRB2 (0.82) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| SCHEMBL9592271 | 0.91 | ADRB2 (1.00) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| (-)-Higenamine SCHEMBL29374757 | 0.87 | DRD2 (0.97) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| Higenamine SCHEMBL28478764 | 0.87 | DRD2 (0.97) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| Higenamine SCHEMBL29623874 | 0.87 | DRD2 (0.97) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| (+)-Higenamine SCHEMBL5898913 | 0.85 | DRD2 (1.00) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| Higenamine SCHEMBL636788 | 0.85 | DRD2 (1.00) | ADRB2DRD2DRD4KDM1ATBXA2R |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7718672-B2 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2010-05-18 | — | — | US | disclosed |
| US-20080033007-A1 | Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy | MILLER DUANE D | 2008-02-07 | — | — | US | disclosed |
| US-20070270460-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | MILLER DUANE D | 2007-11-22 | — | — | US | disclosed |
| US-7241774-B2 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2007-07-10 | — | — | US | disclosed |
| EP-1483233-A4 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | UNIV TENNESSEE RES CORP (US) | 2005-12-21 | — | — | EP | disclosed |
| EP-1483233-A2 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | The University of Tennessee Research Corporation (US) | 2004-12-08 | — | — | EP | disclosed |
| US-20040019078-A1 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION,THE | 2004-01-29 | — | — | US | disclosed |
| WO-2003077874-A2 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2003-09-25 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080033007-A1 | Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy | BAD, TP53, MCL1 | ADRB2 4360/4885DRD2 3064/4885DRD4 2837/4885 |
| US-20070270460-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | BAX, CASP3, BAD | ADRB2 2868/4885DRD2 2465/4885DRD4 2262/4885 |
| US-20040019078-A1 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | BAD, BAX, CASP3 | ADRB2 2857/4885DRD2 2162/4885DRD4 2028/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.