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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 6/20 | 0.96 |
| ▸ | PDGFRB known ✓ | P09619 | 2/20 | 0.54 |
| ▸ | PDGFRA known ✓ | P16234 | 2/20 | 0.54 |
| ▸ | HPGDS | O60760 | 7/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL668493 | 0.98 | EGFR (1.00) | EGFRHPGDSPDGFRBPDGFRANPC1 | |
| SCHEMBL30241125 | 0.98 | EGFR (1.00) | EGFRHPGDSPDGFRBPDGFRANPC1 | |
| SCHEMBL29517021 | 0.98 | EGFR (1.00) | EGFRHPGDSPDGFRBPDGFRANPC1 | |
| SCHEMBL31728944 | 0.86 | EGFR (0.78) | EGFRHPGDSPDGFRBPDGFRAPDE10A | |
| Hydrochloric Acid SCHEMBL28032872 | 0.86 | EGFR (0.96) | EGFRHPGDSPDGFRBPDGFRANPC1 | |
| SCHEMBL27976752 | 0.85 | EGFR (0.76) | EGFRPDGFRBPDGFRANPC1RAB9A | |
| SCHEMBL3372138 | 0.84 | EGFR (1.00) | EGFRHPGDSPDGFRBPDGFRANPC1 | |
| SCHEMBL13837704 | 0.83 | EGFR (0.73) | EGFRHPGDSPDGFRBPDGFRA | |
| SCHEMBL30979881 | 0.83 | EGFR (0.73) | EGFRHPGDSPDGFRBPDGFRANPC1 | |
| SCHEMBL4649110 | 0.81 | EGFR (0.70) | EGFRPDGFRBPDGFRAALDH1A1LMNA |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105250228-A | Gefitinib tablet and preparation method of raw materials of gefitinib tablet | SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD | 2016-01-20 | — | — | CN | claimed |
| CN-105283454-B | Quinazoline and azepine quinazoline as RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/MTOR access double inhibitor | ASANA BIOSCIENCES, LLC (US) | 2019-10-29 | — | — | CN | disclosed |
| CN-109999039-A | Quinazoline-THF- the amine of halogenation as PDE1 inhibitor | H.隆德贝克有限公司 | 2019-07-12 | — | — | CN | disclosed |
| CN-109942499-A | Quinazoline derivant and its preparation method and application | 湖南中医药大学 | 2019-06-28 | — | — | CN | disclosed |
| CN-106132953-B | Halogenated quinazolin-THF-amines as PDE1 inhibitors | H.隆德贝克有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-105408312-B | Quinoline derivatives | 小野药品工业株式会社 | 2018-09-25 | — | — | 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-107698524-A | The preparation method of Buddhist nun is replaced up to grammeter | 孙婷婷 | 2018-02-16 | — | — | 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-105541836-A | Prodrug forms of kinase inhibitors and their use in therapy | AUCKLAND UNISERVICES LTD | 2016-05-04 | — | — | 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-105408312-A | Quinoline derivatives | ONO PHARMACEUTICAL CO | 2016-03-16 | — | — | CN | disclosed |
| CN-102718775-B | As the Macrocyclic quinazoline derivatives of antiproliferative | JANSSEN PHARMACEUTICA N.V. (BE) | 2016-02-17 | — | — | CN | disclosed |
| CN-105250228-A | Gefitinib tablet and preparation method of raw materials of gefitinib tablet | SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD | 2016-01-20 | — | — | CN | disclosed |
| CN-101090899-B | 2,5 and 2,6 disubstituted benzazole analogs useful as protein kinase inhibitors | 4SC Corp. (DE) | 2015-09-09 | — | — | CN | disclosed |
| CN-102898386-B | Quinazoline derivant, its preparation method, intermediate, composition and application thereof | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2015-07-29 | — | — | CN | disclosed |
| CN-104774184-A | Alpha-cyano-alpha, beta-unsaturated amide compound and medical application thereof | UNIV CHINA PHARMA | 2015-07-15 | — | — | CN | disclosed |