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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.41 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 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 SCHEMBL28174209 | 1.00 | KDM4E (0.44) | KDM4ETLR8CYP1A2HTR3AHRH4 | |
| SCHEMBL30824482 | 0.98 | KDM4E (0.46) | KDM4ETLR8CYP1A2HTR3AHRH4 | |
| SCHEMBL382006 | 0.98 | KDM4E (0.46) | KDM4ETLR8CYP1A2HTR3AHRH4 | |
| SCHEMBL3277330 | 0.81 | KDM4E (0.45) | KDM4ECYP1A2HTR3AHRH4GPR3 | |
| Hydrochloric Acid SCHEMBL27476977 | 0.80 | TSHR (0.49) | KDM4ETLR8CYP1A2HTR3AHRH4 | |
| SCHEMBL27825404 | 0.79 | CYP1A2 (0.38) | KDM4ETLR8CYP1A2HTR3AHRH4 | |
| SCHEMBL28624806 | 0.78 | CYP1A2 (0.40) | KDM4ETLR8CYP1A2HTR3AHRH4 | |
| SCHEMBL3634933 | 0.78 | TLR8 (0.49) | KDM4ETLR8CYP1A2HTR3AHRH4 | |
| SCHEMBL30952029 | 0.78 | TLR8 (0.49) | KDM4ETLR8CYP1A2HTR3AHRH4 | |
| SCHEMBL716117 | 0.78 | TSHR (0.50) | KDM4ETLR8CYP1A2HTR3AHRH4 |
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-107245072-A | A kind of preparation method of the triazole compound of Tarceva 1,2,3 | 河南师范大学 | 2017-10-13 | — | — | CN | claimed |
| CN-110357858-A | With the 5 substitution difluoropiperdin compounds across blood-brain barrier ability | 威尚（上海）生物医药有限公司 | 2019-10-22 | — | — | CN | disclosed |
| CN-109553612-A | A kind of Pyrazolopyrimidine derivative and preparation method thereof and the purposes in medicine preparation | 广西梧州制药（集团）股份有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-106432202-B | Quinazoline derivative and its application | 郑州大学第附属医院 | 2019-04-02 | — | — | CN | disclosed |
| CN-108341813-A | Substituted 1- (isoxazole -3- bases) -3- (the fluoro- 4- phenyl of 3-) urea derivative and its preparation method and application | 四川大学 | 2018-07-31 | — | — | CN | disclosed |
| CN-108078990-A | The new application of quinazoline derivative species tyrosine kinase inhibitor | 山东轩竹医药科技有限公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-104903300-B | COMT inhibitor | 霍夫曼-拉罗奇有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-103483276-B | Preparation method of vandetanib impurity | 南京恒道医药科技有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107721987-A | The crystal formation of quinazolines tyrosine kinase inhibitor | 山东轩竹医药科技有限公司 | 2018-02-23 | — | — | CN | disclosed |
| CN-107721986-A | The crystal formation of quinazolines tyrosine kinase inhibitor | 山东轩竹医药科技有限公司 | 2018-02-23 | — | — | CN | disclosed |
| CN-104981467-B | Process for the preparation of l- (4- (4- (3, 4-dichloro-2-fluorophenylamino) -7-methoxyquinazolin-6-yloxy) piperidin-l-yl) prop-2-en-l-one | 韩美药品株式会社 | 2017-10-24 | — | — | CN | disclosed |
| CN-104981467-B | Process for the preparation of l- (4- (4- (3, 4-dichloro-2-fluorophenylamino) -7-methoxyquinazolin-6-yloxy) piperidin-l-yl) prop-2-en-l-one | 韩美药品株式会社 | 2017-10-24 | — | — | CN | disclosed |
| CN-105250228-B | A kind of tablet of Gefitinib and its preparation method of raw material | 山东罗欣药业集团股份有限公司 | 2017-10-24 | — | — | CN | disclosed |
| CN-107245072-A | A kind of preparation method of the triazole compound of Tarceva 1,2,3 | 河南师范大学 | 2017-10-13 | — | — | CN | disclosed |
| CN-107118165-A | The synthetic method of the dimethoxyquinazoline of 2 chlorine, 4 amino 6,7 | 浙江逸都生物科技有限公司 | 2017-09-01 | — | — | CN | disclosed |
| CN-106632271-A | Erlotinib derivative with antitumor activity, and preparation method and application thereof | 河南师范大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-104230826-B | 2 fluoro quinazoline cyclics and preparation method thereof and pharmaceutical usage | 复旦大学 | 2017-03-29 | — | — | CN | disclosed |
| CN-106146484-A | Quinazoline derivant is as RAF kinase modulator and their method and purposes | 埃姆比特生物科学公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-103874495-B | As the amido quinazoline of inhibitors of kinases | GlaxoSmithKline Intellectual Property Development Ltd. (GB) | 2016-04-20 | — | — | CN | disclosed |
| CN-103874696-B | Quinazoline derivatives as kinases inhibitors and methods of use thereof | TELIGENE LTD | 2015-06-03 | — | — | CN | disclosed |