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 | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 4/20 | 0.39 |
| ▸ | MAOB known ✓ | P27338 | 4/20 | 0.39 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.39 |
| ▸ | BCHE known ✓ | P06276 | 1/20 | 0.39 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
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 SCHEMBL27768191 | 1.00 | TDP1 (0.43) | TDP1ALDH1A1RECQLMEN1MAPT | |
| Hydrochloric Acid SCHEMBL27713839 | 1.00 | TDP1 (0.43) | TDP1ALDH1A1RECQLMEN1MAPT | |
| SCHEMBL251013 | 0.97 | — | — | |
| Bromide SCHEMBL28772955 | 0.94 | TDP1 (0.43) | TDP1ALDH1A1RECQLMEN1MAPT | |
| Methyl Alcohol SCHEMBL27286464 | 0.89 | ERBB2 (0.41) | TDP1ALDH1A1RECQLMEN1MAPT | |
| SCHEMBL11302513 | 0.81 | MEN1 (0.34) | TDP1ALDH1A1RECQLMEN1MAPT | |
| Propionic Acid SCHEMBL7100683 | 0.78 | FFAR3 (0.40) | TDP1ALDH1A1RECQLMEN1MAPT | |
| Butylamine SCHEMBL27886537 | 0.76 | ACHE (0.46) | TDP1ALDH1A1RECQLMEN1MAPT | |
| SCHEMBL11244899 | 0.72 | — | — | |
| SCHEMBL4964070 | 0.70 | NSD2 (0.43) | ALDH1A1MEN1MAPTKMT2APOLB |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108727416-A | The miscellaneous aroma system amide derivatives of tricyclic and its preparation and use | 北京大学 | 2018-11-02 | — | — | CN | claimed |
| CN-103923105-B | 2-indolizine Carbox amide and preparation thereof and purposes | 北京大学 | 2016-08-24 | — | — | CN | claimed |
| CN-103923105-A | 2-indolizine formylamine compound as well as preparation method and application thereof | UNIV BEIJING | 2014-07-16 | — | — | CN | claimed |
| CN-101613349-B | Preparation method of S-3-aminoquinuclidine dihydrochloride | UNIV WUHAN TECH | 2011-08-03 | — | — | CN | claimed |
| CN-101613349-A | The preparation method of S-3-amino quinine dihydrochloride | UNIV WUHAN TECH | 2009-12-30 | — | — | CN | claimed |
| CN-101088999-A | Process of synthesizing 3-amino quinine dihydrochloride | UNIV WUHAN TECH (CN) | 2007-12-19 | — | — | CN | claimed |
| CN-110455960-A | The method for detecting enantiomter content in (S)-(-) -3- amino quinine cyclammonium dihydrochloride | SHANDONG QIDU PHARMACEUTICAL | 2019-11-15 | — | — | CN | disclosed |
| CN-108727416-A | The miscellaneous aroma system amide derivatives of tricyclic and its preparation and use | 北京大学 | 2018-11-02 | — | — | CN | disclosed |
| CN-103923105-B | 2-indolizine Carbox amide and preparation thereof and purposes | 北京大学 | 2016-08-24 | — | — | CN | disclosed |
| CN-103923105-A | 2-indolizine formylamine compound as well as preparation method and application thereof | UNIV BEIJING | 2014-07-16 | — | — | CN | disclosed |
| WO-2011161691-A1 | A DIRECT METHOD FOR PREPARING QUININE HYDROCHLORIDE FROM CINCHONA BARK | AAJANEYA BIOTECH PVT. LIMITED (IN) | 2011-12-29 | — | — | WO | disclosed |
| CN-101613349-B | Preparation method of S-3-aminoquinuclidine dihydrochloride | UNIV WUHAN TECH | 2011-08-03 | — | — | CN | disclosed |
| CN-101613349-A | The preparation method of S-3-amino quinine dihydrochloride | UNIV WUHAN TECH | 2009-12-30 | — | — | CN | disclosed |
| CN-101613349-A | The preparation method of S-3-amino quinine dihydrochloride | UNIV WUHAN TECH | 2009-12-30 | — | — | CN | disclosed |
| CN-101331133-A | Sulphonamidoaniline derivatives as Janus kinase inhibitors | NOVARTIS AG (CH) | 2008-12-24 | — | — | CN | disclosed |
| CN-101161651-A | Method for preparing 3-amido quinine medically-acceptable salt | SHANGHAI INST PHARM INDUSTRY (CN) | 2008-04-16 | — | — | CN | disclosed |
| CN-101088999-A | Process of synthesizing 3-amino quinine dihydrochloride | UNIV WUHAN TECH (CN) | 2007-12-19 | — | — | CN | disclosed |
| CN-101088999-A | Process of synthesizing 3-amino quinine dihydrochloride | UNIV WUHAN TECH (CN) | 2007-12-19 | — | — | CN | disclosed |
| CN-101088999-A | Process of synthesizing 3-amino quinine dihydrochloride | UNIV WUHAN TECH (CN) | 2007-12-19 | — | — | CN | disclosed |