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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 5/20 | 0.47 |
| ▸ | HTR2A known ✓ | P28223 | 4/20 | 0.47 |
| ▸ | HTR2B known ✓ | P41595 | 4/20 | 0.47 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.46 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 8/20 | 0.53 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.45 |
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
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 SCHEMBL29787087 | 1.00 | PNMT (0.53) | PNMTHTR2CHTR2AHTR2BADRA2A | |
| SCHEMBL29787094 | 0.98 | PNMT (0.55) | PNMTHTR2CHTR2AHTR2BADRA2A | |
| SCHEMBL3880722 | 0.98 | PNMT (0.55) | PNMTHTR2CHTR2AHTR2BADRA2A | |
| Acetamide SCHEMBL28521648 | 0.85 | PNMT (0.44) | PNMTHTR2CHTR2AHTR2BADRA2A | |
| SCHEMBL25257916 | 0.79 | PNMT (0.50) | PNMTHTR2CHTR2AHTR2BADRA2A | |
| SCHEMBL29097975 | 0.79 | PNMT (0.52) | PNMTHTR2CHTR2AHTR2BADRA2A | |
| SCHEMBL20909781 | 0.79 | PNMT (0.52) | PNMTHTR2CHTR2AHTR2BADRA2A | |
| SCHEMBL4857346 | 0.79 | PNMT (0.52) | PNMTHTR2CHTR2AHTR2BADRA2A | |
| SCHEMBL21326108 | 0.75 | HTR2C (0.47) | PNMTHTR2CHTR2AHTR2BASIC3 | |
| SCHEMBL21326097 | 0.75 | PNMT (0.47) | PNMTHTR2CHTR2AHTR2BADRA2A |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117783358-A | Method for separating and measuring critical starting materials and related impurities of ritatist by HPLC (high Performance liquid chromatography) | 上海博悦生物科技有限公司 | 2024-03-29 | — | — | CN | claimed |
| CN-112500343-B | Synthesis method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline hydrochloride | 山东金城柯瑞化学有限公司 | 2023-04-07 | — | — | CN | claimed |
| CN-114524767-B | Synthesis method of sitaxel intermediate 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride | 成都道合尔医药技术有限公司 | 2022-10-18 | — | — | CN | claimed |
| CN-114524767-A | Synthetic method of sitaxel intermediate 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline hydrochloride | 成都道合尔医药技术有限公司 | 2022-05-24 | — | — | CN | claimed |
| CN-112500343-A | Synthetic method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline hydrochloride | 山东金城柯瑞化学有限公司 | 2021-03-16 | — | — | CN | claimed |
| CN-110724098-A | Synthetic method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline-6-carboxylic acid hydrochloride | 成都福柯斯医药技术有限公司 | 2020-01-24 | — | — | CN | claimed |
| CN-112409256-B | 5, 7-dichloro tetrahydroisoquinoline aminal compound, and preparation method and application thereof | 山东福长药业有限公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-116239532-B | Intermediate of dichloro tetrahydroisoquinoline carboxylic acid, and preparation method and application thereof | 浙江博崤生物制药有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-116239532-A | Intermediate of dichloro tetrahydroisoquinoline carboxylic acid, and preparation method and application thereof | 浙江博崤生物制药有限公司 | 2023-06-09 | — | — | CN | disclosed |
| CN-112500343-B | Synthesis method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline hydrochloride | 山东金城柯瑞化学有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-112500343-B | Synthesis method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline hydrochloride | 山东金城柯瑞化学有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-112500343-B | Synthesis method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline hydrochloride | 山东金城柯瑞化学有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-114524767-B | Synthesis method of sitaxel intermediate 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride | 成都道合尔医药技术有限公司 | 2022-10-18 | — | — | CN | disclosed |
| CN-112500343-A | Synthetic method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline hydrochloride | 山东金城柯瑞化学有限公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-112500343-A | Synthetic method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline hydrochloride | 山东金城柯瑞化学有限公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-112500343-A | Synthetic method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline hydrochloride | 山东金城柯瑞化学有限公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-112409256-A | 5, 7-dichlorotetrahydroisoquinoline acetal amine compound, and preparation method and application thereof | 山东福长药业有限公司 | 2021-02-26 | — | — | CN | disclosed |
| CN-110724098-A | Synthetic method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline-6-carboxylic acid hydrochloride | 成都福柯斯医药技术有限公司 | 2020-01-24 | — | — | CN | disclosed |
| CN-110724098-A | Synthetic method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline-6-carboxylic acid hydrochloride | 成都福柯斯医药技术有限公司 | 2020-01-24 | — | — | CN | disclosed |
| WO-2009001128-A1 | 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |