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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.58 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.58 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.58 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.58 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.54 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.54 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.54 |
| ▸ | HSD11B1 known ✓ | P28845 | 1/20 | 0.54 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.54 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.66 |
| ▸ | MEN1 | O00255 | 2/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
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 SCHEMBL28278641 | 0.98 | NOTUM (0.66) | NOTUMKMT2AMEN1MAPTTAAR1 | |
| SCHEMBL322928 | 0.98 | NOTUM (0.70) | NOTUMKMT2AMEN1MAPTTAAR1 | |
| SCHEMBL2124966 | 0.88 | NOTUM (0.60) | NOTUMKMT2AMEN1MAPTTAAR1 | |
| SCHEMBL23114040 | 0.87 | RIPK1 (0.66) | NOTUMKMT2AMEN1MAPTTAAR1 | |
| SCHEMBL27901981 | 0.84 | NOTUM (0.72) | NOTUMKMT2AMEN1MAPTTAAR1 | |
| SCHEMBL29758685 | 0.83 | NOTUM (0.64) | NOTUMKMT2AMEN1MAPTTAAR1 | |
| SCHEMBL2533362 | 0.83 | NOTUM (0.64) | NOTUMKMT2AMEN1MAPTTAAR1 | |
| Hydrochloric Acid SCHEMBL30061394 | 0.83 | NOTUM (0.66) | NOTUMKMT2AMEN1MAPTTAAR1 | |
| Hydrochloric Acid SCHEMBL1075430 | 0.83 | NOTUM (0.66) | NOTUMKMT2AMEN1MAPTTAAR1 | |
| Hydrochloric Acid SCHEMBL6651696 | 0.83 | NOTUM (0.66) | NOTUMKMT2AMEN1MAPTTAAR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109384717-A | Chloro- 1,2,3,4- tetrahydroisoquinoline -6- carboxylic acid hydrochloride hydrate of 5,7- bis- and its preparation method and application | 广安凯特制药有限公司 | 2019-02-26 | — | — | CN | claimed |
| EP-3781560-A1 | PYRAZO-TETRAHYDROISOQUINOLINE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE MODULATORS | Eli Lilly and Company (US) | 2021-02-24 | — | — | EP | disclosed |
| WO-2019204418-A1 | PYRAZO-TETRAHYDROISOQUINOLINE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE MODULATORS | ELI LILLY AND COMPANY (US) | 2019-10-24 | — | — | WO | disclosed |
| CN-109384717-A | Chloro- 1,2,3,4- tetrahydroisoquinoline -6- carboxylic acid hydrochloride hydrate of 5,7- bis- and its preparation method and application | 广安凯特制药有限公司 | 2019-02-26 | — | — | CN | disclosed |
| CN-102453001-B | Thiomorpholine compounds and its production and use | INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-06-01 | — | — | CN | disclosed |
| CN-102453001-A | Thiomorpholine compound and preparation method and application thereof | INST MATERIA MEDICA CAMS | 2012-05-16 | — | — | CN | disclosed |