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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 3/20 | 0.65 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.56 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.56 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.56 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.56 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.56 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.55 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.96 |
| ▸ | PNMT | P11086 | 1/20 | 0.65 |
| ▸ | IDO1 | P14902 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | AGXT | P21549 | 2/20 | 0.57 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31185455 | 1.00 | TAAR1 (0.96) | TAAR1PNMTMAOBIDO1CYP3A4 | |
| Hydrochloric Acid SCHEMBL10898373 | 1.00 | TAAR1 (0.96) | TAAR1PNMTMAOBIDO1CYP3A4 | |
| Hydrochloric Acid SCHEMBL10899915 | 0.98 | TAAR1 (0.92) | TAAR1PNMTMAOBIDO1CYP3A4 | |
| SCHEMBL30643998 | 0.98 | TAAR1 (1.00) | TAAR1PNMTMAOBIDO1CYP3A4 | |
| SCHEMBL148750 | 0.98 | TAAR1 (1.00) | TAAR1PNMTMAOBIDO1CYP3A4 | |
| Bromide SCHEMBL10898852 | 0.96 | TAAR1 (0.96) | TAAR1PNMTMAOBIDO1CYP3A4 | |
| Iodide SCHEMBL30914654 | 0.96 | TAAR1 (0.96) | TAAR1PNMTMAOBIDO1CYP3A4 | |
| Hydrochloric Acid SCHEMBL3240009 | 0.88 | TAAR1 (0.74) | TAAR1PNMTMAOBIDO1CYP3A4 | |
| SCHEMBL2026417 | 0.85 | TAAR1 (0.77) | TAAR1PNMTMAOBIDO1CYP3A4 | |
| SCHEMBL8356897 | 0.84 | TAAR1 (0.73) | TAAR1PNMTMAOBIDO1AOC3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2785695-B1 | NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2020-06-17 | — | — | EP | disclosed |
| EP-3331863-A1 | NOVEL COMPOUNDS AS ROR GAMMA MODULATORS | Glenmark Pharmaceuticals S.A. (CH) | 2018-06-13 | — | — | EP | disclosed |
| WO-2017021879-A1 | NOVEL COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2017-02-09 | — | — | WO | disclosed |
| US-9133158-B2 | Bicyclic dihydroisoquinoline-1-one derivatives | HOFFMAN-LA ROCHE INC. (US) | 2015-09-15 | — | — | US | disclosed |
| EP-2785695-A1 | NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-10-08 | — | — | EP | disclosed |
| US-20130143863-A1 | NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-06-06 | — | — | US | disclosed |
| WO-2013079452-A1 | NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2013-06-06 | — | — | WO | disclosed |
| US-7973061-B2 | Anaplastic lymphoma kinase modulators and methods of use | EXELIXIS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| US-20090186905-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2009-07-23 | — | — | US | disclosed |
| EP-1730128-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005097765-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-10-20 | — | — | WO | disclosed |
| EP-1140818-B1 | AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE | AVENTIS PHARMA INC (US) | 2003-09-10 | — | — | EP | disclosed |
| US-6329550-B1 | FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES | AVENTIS PHARMACEUTICALS INC. | 2001-12-11 | — | — | US | disclosed |
| EP-1140818-A1 | AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE | Aventis Pharmaceuticals Inc. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040552-A1 | AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE | AVENTIS PHARMACEUTICALS INC. (US) | 2000-07-13 | — | — | WO | disclosed |
| EP-0070134-B1 | SECONDARY PHENYL ETHANOL AMINES AND THEIR PHARMACEUTICAL USE | BEECHAM GROUP PLC (GB) | 1985-11-13 | — | — | EP | 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 (2 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-20090186905-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | ALK, BCL3, MCL1 | MAOB 1810/4885HTR3E 2906/4885HTR3B 2911/4885 |
| US-20130143863-A1 | NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES | CYP11B1, CYP11B2, HSD11B1 | MAOB 412/4885HTR3E 2935/4885HTR3B 670/4885 |
“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.