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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.38 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.38 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16207447 | 0.97 | CA12 (0.62) | CA12CA7CA14SMN1; SMN2TSHR | |
| SCHEMBL898966 | 0.97 | CA12 (0.62) | CA12CA7CA14SMN1; SMN2TSHR | |
| SCHEMBL30323660 | 0.95 | CA12 (0.59) | CA12CA7CA14SMN1; SMN2TSHR | |
| SCHEMBL30323518 | 0.95 | CA12 (0.59) | CA12CA7CA14SMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL27781421 | 0.85 | CA12 (0.48) | CA12CA7CA14SMN1; SMN2TSHR | |
| Ethane SCHEMBL28543734 | 0.84 | CA12 (0.48) | CA12CA7CA14SMN1; SMN2TSHR | |
| SCHEMBL15935734 | 0.77 | CA12 (0.56) | CA12CA7CA14SMN1; SMN2TSHR | |
| SCHEMBL1746338 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29968774 | 0.76 | CA12 (0.62) | CA12CA7CA14SMN1; SMN2TSHR | |
| SCHEMBL4724826 | 0.75 | CA12 (1.00) | CA12CA7CA14SMN1; SMN2TSHR |
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-110317137-A | 9,10- anthraquinone analog compound or its pharmaceutically acceptable salt and its medicinal usage | 复旦大学 | 2019-10-11 | — | — | CN | disclosed |
| CN-110305045-A | A kind of amides compound and its purposes in treating cancer | 成都海创药业有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-106478651-B | Substituted heteroaryl compound and combinations thereof and purposes | 广东东阳光药业有限公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-105873577-B | Cycloalkenylamides as bromodomain inhibitors | 西奈山伊坎医学院 | 2019-06-18 | — | — | CN | disclosed |
| CN-109897011-A | A kind of IDO inhibitor and its application | 上海华汇拓医药科技有限公司 | 2019-06-18 | — | — | CN | disclosed |
| CN-106103439-B | 2,7- diaza spiro [3.5] nonane compound | 瑞敏德股份有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-109071454-A | Sulfonylureas and related compound and application thereof | 昆士兰大学 | 2018-12-21 | — | — | CN | disclosed |
| CN-108137608-A | Janus kinase 1 selective inhibitor and pharmaceutical application thereof | 阳智化学（株） | 2018-06-08 | — | — | CN | disclosed |
| CN-107849017-A | 1,1, 1-trifluoro-3-hydroxypropan-2-ylcarbamate derivatives and 1,1, 1-trifluoro-4-hydroxybutyl-2-ylcarbamate derivatives as MAG L inhibitors | 辉瑞公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-106478651-A | Substituted heteroaryl compound and combinations thereof and purposes | 广东东阳光药业有限公司 | 2017-03-08 | — | — | 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-106103439-A | 2,7 diaza spiros [3.5] nonane compound | 瑞敏德股份有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-105873577-A | Cycloalkenylamides as bromodomain inhibitors | 西奈山伊坎医学院 | 2016-08-17 | — | — | CN | disclosed |
| CN-103402511-B | New benzodioxole piperidine compounds | HOFFMAN-LA ROCHE LTD. (CH) | 2015-11-25 | — | — | CN | disclosed |
| CN-103402511-A | Novel benzodioxole piperidine compounds | HOFFMANN LA ROCHE | 2013-11-20 | — | — | CN | disclosed |
| CN-102083312-A | Benzene sulfonamide thiazole and oxazole compounds | SMITHKLINE BEECHAM CORP | 2011-06-01 | — | — | CN | disclosed |
| CN-1642552-B | 4- (N-phenylamino) -quinazolines/quinolines as tyrosine kinase inhibitors | BOEHRINGER INGELHEIM PHARMA | 2010-05-12 | — | — | CN | disclosed |
| CN-1642552-A | 4- (N-phenylamino) -quinazolines/quinolines as tyrosine kinase inhibitors | BOEHRINGER INGELHEIM PHARMA (DE) | 2005-07-20 | — | — | CN | disclosed |
| US-5559232-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-09-24 | — | — | US | disclosed |