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 | |
|---|---|---|---|---|
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.34 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.34 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.34 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | CCR2 | P41597 | 4/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL353922 | 0.98 | — | — | |
| SCHEMBL30529980 | 0.95 | CES2 (0.39) | CES2CES1ALDH1A1POLBKMT2A | |
| Dimethylformamide SCHEMBL27551820 | 0.82 | ALDH1A1 (0.35) | CES2CES1ALDH1A1POLBKMT2A | |
| Styrene SCHEMBL11065272 | 0.80 | ALDH1A1 (0.47) | ALDH1A1POLBKMT2AMEN1TDP1 | |
| SCHEMBL31506894 | 0.77 | ALDH1A1 (0.39) | CES2CES1ALDH1A1POLBKMT2A | |
| SCHEMBL329418 | 0.75 | — | — | |
| SCHEMBL791265 | 0.73 | — | — | |
| SCHEMBL2873147 | 0.73 | — | — | |
| SCHEMBL18456 | 0.73 | — | — | |
| SCHEMBL9063607 | 0.73 | CCR2 (0.39) | CES2CES1ALDH1A1POLBKMT2A |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106220618-B | Sulfur derivatives as chemokine receptor modulators | 阿勒根公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-109476599-A | Guanidine derivatives and its medical usage | 东丽株式会社 | 2019-03-15 | — | — | CN | disclosed |
| CN-109053723-A | Sulfamide derivative and its medicinal usage | EA制药株式会社 | 2018-12-21 | — | — | CN | disclosed |
| CN-108383828-A | 1 new, 2- as chemokine receptor modulators is bis--sulfamide derivative | 阿勒根公司 | 2018-08-10 | — | — | CN | disclosed |
| CN-107428696-A | Sulfonylureas and related compounds and uses thereof | 昆士兰大学 | 2017-12-01 | — | — | CN | disclosed |
| CN-104011046-B | Aminopyrimidine kinase inhibitors | 嘉世高制药公司 | 2017-05-03 | — | — | CN | disclosed |
| CN-104140421-B | Benzo isothiazole compound and the application in antipsychotic drug is prepared | 上海医药工业研究院 | 2017-04-05 | — | — | CN | disclosed |
| CN-106414413-A | Sulfonamide derivatives and pharmaceutical use thereof | EA制药株式会社 | 2017-02-15 | — | — | CN | disclosed |
| CN-103339132-B | Purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative, pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition with inhibitory activity against raf kinase, containing same as active ingredi | 株式会社麦迪帕克特 | 2017-02-15 | — | — | CN | disclosed |
| CN-106220618-A | SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | 阿勒根公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-103690542-B | Poly-(ADP-ribose) AG14361 | ABBVIE INC. (US) | 2015-11-18 | — | — | CN | disclosed |
| CN-103690542-A | Inhibitors of poly(ADP-ribose)polymerase | ABBVIE INC | 2014-04-02 | — | — | CN | disclosed |
| CN-103479604-A | Derivatives of n-(arylamino) sulfonamides including polymorphs as inhibitors of MEK as well as compositions, methods of use and methods for preparing the same | ARDEA BIOSCIENCES INC | 2014-01-01 | — | — | CN | disclosed |
| CN-101808516-B | N- (arylamino) sulfonamide derivatives and compositions, including polymorphs, as MEK inhibitors, methods of use, and methods of preparation thereof | ARDEA BIOSCIENCES INC | 2013-08-28 | — | — | CN | disclosed |
| CN-102712646-A | RAF inhibitor compounds and methods of use thereof | ARRAY BIOPHARMA INC | 2012-10-03 | — | — | CN | disclosed |
| CN-101495118-B | N- (arylamino) sulfonamide inhibitors of MEK | ARDEA BIOSCIENCES INC | 2012-09-05 | — | — | CN | disclosed |
| CN-102083312-A | Benzene sulfonamide thiazole and oxazole compounds | SMITHKLINE BEECHAM CORP | 2011-06-01 | — | — | CN | disclosed |
| CN-101808516-A | N- (arylamino) sulfonamide derivatives and compositions, including polymorphs, as MEK inhibitors, methods of use, and methods of preparation thereof | ARDEA BIOSCIENCES INC | 2010-08-18 | — | — | CN | disclosed |
| CN-101641014-A | Poly (ADP-ribose) polymerase inhibitors | ABBOTT LAB US | 2010-02-03 | — | — | CN | disclosed |
| CN-101495118-A | N- (arylamino) sulfonamide inhibitors of MEK | ARDEA BIOSCIENCES INC (US) | 2009-07-29 | — | — | CN | disclosed |