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 | 16/20 | 0.81 |
| ▸ | KDR known ✓ | P35968 | 4/20 | 0.81 |
| ▸ | ERBB2 known ✓ | P04626 | 2/20 | 0.81 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.81 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.81 |
| ▸ | RET known ✓ | P07949 | 2/20 | 0.71 |
| ▸ | ERBB4 known ✓ | Q15303 | 1/20 | 0.67 |
| ▸ | FBP1 | P09467 | 2/20 | 0.81 |
| ▸ | AURKA | O14965 | 1/20 | 0.81 |
| ▸ | INSR | P06213 | 1/20 | 0.81 |
| ▸ | CLK1 | P49759 | 1/20 | 0.81 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.81 |
| ▸ | TEK | Q02763 | 1/20 | 0.81 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.81 |
| ▸ | RAF1 | P04049 | 1/20 | 0.74 |
| ▸ | BRAF | P15056 | 1/20 | 0.74 |
| ▸ | KIF5B | P33176 | 2/20 | 0.71 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.71 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.71 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.66 |
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 SCHEMBL27915151 | 0.99 | EGFR (0.80) | EGFRKDRFBP1ERBB2AURKA | |
| SCHEMBL8383 | 0.99 | EGFR (0.83) | EGFRKDRFBP1ERBB2AURKA | |
| SCHEMBL30124192 | 0.99 | EGFR (0.83) | EGFRKDRFBP1ERBB2AURKA | |
| SCHEMBL29679736 | 0.99 | EGFR (0.83) | EGFRKDRFBP1ERBB2AURKA | |
| SCHEMBL3238800 | 0.94 | EGFR (0.83) | EGFRKDRFBP1ERBB2AURKA | |
| Acetic Acid SCHEMBL29234690 | 0.94 | EGFR (0.75) | EGFRKDRFBP1ERBB2AURKA | |
| SCHEMBL13006609 | 0.92 | EGFR (0.71) | EGFRKDRFBP1ERBB2AURKA | |
| Hydrochloric Acid SCHEMBL27887194 | 0.91 | EGFR (0.98) | EGFRKDRFBP1ERBB2AURKA | |
| SCHEMBL14515606 | 0.90 | KDR (0.72) | EGFRKDRFBP1ERBB2AURKA | |
| SCHEMBL2099106 | 0.90 | EGFR (1.00) | EGFRKDRFBP1ERBB2AURKA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101857618-B | As series of quinazoline sugar derivatives thing, its preparation method and the application of protein tyrosine kinase inhibitor | OCEAN UNIVERSITY OF CHINA (CN) | 2015-11-25 | — | — | CN | claimed |
| CN-106188147-A | Pt coordination compound containing quinazoline ditosylate salt part and its preparation method and application | 中国科学院化学研究所 | 2016-12-07 | — | — | CN | disclosed |
| CN-105377820-A | Process for producing quinazoline derivative | SCINOPHARM CHANGSHU PHARMACEUTICALS LTD | 2016-03-02 | — | — | CN | disclosed |
| CN-101857618-B | As series of quinazoline sugar derivatives thing, its preparation method and the application of protein tyrosine kinase inhibitor | OCEAN UNIVERSITY OF CHINA (CN) | 2015-11-25 | — | — | CN | disclosed |