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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.37 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | SELL | P14151 | 1/20 | 0.33 |
| ▸ | SELP | P16109 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | C1S | P09871 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
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 SCHEMBL4458024 | 0.97 | ALDH1A1 (0.42) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL5044874 | 0.96 | — | — | |
| Phosphine SCHEMBL27747999 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL28149604 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMTSELL | |
| Bromide SCHEMBL28216885 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMTSELL | |
| Fluoride SCHEMBL27907084 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMTSELL | |
| Water SCHEMBL28455457 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL13871115 | 0.89 | — | — | |
| Boric Acid SCHEMBL28918373 | 0.84 | ALDH1A1 (0.43) | ALDH1A1TSHRACHETPMTSELL | |
| Boric Acid SCHEMBL29420415 | 0.84 | ALDH1A1 (0.43) | ALDH1A1TSHRACHETPMTSELL |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107936057-B | A kind of preparation method of diaryl phosphorus chlorine compound | 河南省科学院化学研究所有限公司 | 2019-07-16 | — | — | CN | claimed |
| CN-106046065-A | Method for synthesizing C2-symmetrical chiral ferrocenyl phosphine compound | 河南省科学院化学研究所有限公司 | 2016-10-26 | — | — | CN | claimed |
| CN-109666041-B | Chiral monophosphine ligand HP-Phos with diphenyl ether skeleton, preparation method and application thereof | 华东师范大学 | 2020-12-22 | — | — | CN | disclosed |
| CN-111148750-A | Azithromycin derivatives containing phosphonium ions as anticancer agents | 来兴泰德基金会 | 2020-05-12 | — | — | CN | disclosed |
| CN-107417726-B | The preparation method and application of chiral monophosphorus ligand PC-Phos and its full configuration based on xanthene skeleton | 华东师范大学 | 2019-11-05 | — | — | CN | disclosed |
| CN-107936057-B | A kind of preparation method of diaryl phosphorus chlorine compound | 河南省科学院化学研究所有限公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-105949248-B | The synthetic method of Josiphos class chiral ferrocene phosphine ligands | 河南省科学院化学研究所有限公司 | 2018-08-07 | — | — | CN | disclosed |
| CN-106046065-B | A method of synthesis C2- symmetry chiral ferrocene phosphine compounds | 河南省科学院化学研究所有限公司 | 2018-07-13 | — | — | CN | disclosed |
| CN-105481909-B | Chiral diphosphine ligand and its application in asymmetric hydrogenation and correlated response | 武汉凯特立斯科技有限公司 | 2018-04-20 | — | — | CN | disclosed |
| CN-107936057-A | A kind of preparation method of diaryl phosphorus chlorine compound | 河南省科学院化学研究所有限公司 | 2018-04-20 | — | — | CN | disclosed |
| CN-107569518-A | The dissolving method of the egg shell membrane of enzyme is used | 天野酶制品株式会社 | 2018-01-12 | — | — | CN | disclosed |
| CN-105949248-A | Synthesis method of Josiphos chiral ferrocenyl phosphine ligands | 河南省科学院化学研究所有限公司 | 2016-09-21 | — | — | CN | disclosed |
| CN-105671018-A | Eggshell membrane solubilization method using enzymes | 天野酶制品株式会社 | 2016-06-15 | — | — | CN | disclosed |
| CN-105585593-A | Novel pyridyl crown ether-containing chiral diphosphine ligand and application thereof in asymmetric catalytic reaction | UNIV HANGZHOU NORMAL | 2016-05-18 | — | — | CN | disclosed |
| CN-105481909-A | Chiral diphosphine ligand and application thereof to asymmetric hydrogenation and correlated reactions | WUHAN KAITELISI TECH CO LTD | 2016-04-13 | — | — | CN | disclosed |
| CN-103570574-B | Intermediate used in a kind of synthetic method of ezetimibe and the method | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2016-04-13 | — | — | CN | disclosed |
| CN-103073590-B | Chirality fragrance Spiroketals skeleton biphosphine ligand and its preparation method and application | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2016-01-13 | — | — | CN | disclosed |
| CN-103570574-A | Synthetic method of ezetimibe, and intermediate used in synthetic method | SHANGHAI INST ORGANIC CHEM | 2014-02-12 | — | — | CN | disclosed |
| CN-103570600-A | Chiral alpha-methylene beta-lactam compound, and preparation method and applications thereof | SHANGHAI INST ORGANIC CHEM | 2014-02-12 | — | — | CN | disclosed |
| CN-103073590-A | Chiral aromatic spiroketal skeleton double phosphine ligand, preparation method and uses thereof | SHANGHAI INST ORGANIC CHEM | 2013-05-01 | — | — | CN | disclosed |