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 | 2/20 | 0.56 |
| ▸ | PDGFRB known ✓ | P09619 | 2/20 | 0.45 |
| ▸ | PDGFRA known ✓ | P16234 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | HPGDS | O60760 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1633917 | 0.98 | ALDH1A1 (0.59) | ALDH1A1KDM4ESMN1; SMN2EGFRGFER | |
| Hydrochloric Acid SCHEMBL28007029 | 0.86 | ALDH1A1 (0.57) | ALDH1A1KDM4ESMN1; SMN2EGFRNPC1 | |
| SCHEMBL1571317 | 0.84 | ALDH1A1 (0.59) | ALDH1A1KDM4ESMN1; SMN2EGFRNPC1 | |
| SCHEMBL29235188 | 0.82 | ALDH1A1 (0.50) | ALDH1A1KDM4ESMN1; SMN2EGFRGFER | |
| Hydrochloric Acid SCHEMBL28061626 | 0.79 | EGFR (0.56) | ALDH1A1KDM4ESMN1; SMN2EGFRGFER | |
| Hydrochloric Acid SCHEMBL28009628 | 0.79 | EGFR (0.56) | ALDH1A1KDM4ESMN1; SMN2EGFRGFER | |
| Hydrochloric Acid SCHEMBL28048118 | 0.79 | EGFR (0.56) | ALDH1A1KDM4ESMN1; SMN2EGFRGFER | |
| Hydrochloric Acid SCHEMBL28295069 | 0.79 | EGFR (0.56) | ALDH1A1KDM4ESMN1; SMN2EGFRGFER | |
| SCHEMBL12361591 | 0.79 | EGFR (0.59) | ALDH1A1KDM4ESMN1; SMN2EGFRGFER | |
| SCHEMBL27766565 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A |
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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105693630-B | A kind of preparation method of Gefitinib intermediate | 田静 | 2018-02-16 | — | — | CN | claimed |
| 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 | claimed |
| CN-105693630-A | Preparation method of gefitinib intermediate | 陈红 | 2016-06-22 | — | — | CN | claimed |
| CN-105541807-A | Novel quinazoline derivative LU1506, preparation method and applications thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-05-04 | — | — | CN | claimed |
| CN-105541737-A | Preparation method of gefitinib | CHEN HONG | 2016-05-04 | — | — | CN | claimed |
| CN-105503836-A | Novel quinazoline derivative LU1502 as well as preparation method and application thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-04-20 | — | — | CN | claimed |
| CN-105503835-A | Novel quinazoline derivative LU1510 as well as preparation method and application thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-04-20 | — | — | CN | claimed |
| CN-105503747-A | Novel quinazoline derivative LU1507 as well as preparation method and application thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-04-20 | — | — | CN | claimed |
| CN-105481835-A | Novel quinazoline derivative LU1508, and preparation method and application thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-04-13 | — | — | CN | claimed |
| CN-105461642-A | Novel quinazoline derivative LU1505 as well as preparation method and application thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-04-06 | — | — | CN | claimed |
| CN-105418517-A | Novel quinazoline derivative LU1509 as well as preparation method and application thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-03-23 | — | — | CN | claimed |
| CN-105399733-A | Novel quinazoline derivative LU1504 and preparing method and application thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-03-16 | — | — | CN | claimed |
| CN-105399689-A | Novel quinazoline derivative LU1503 and preparing method and application thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-03-16 | — | — | CN | claimed |
| CN-105384699-A | Novel quinazoline derivative LU1501, as well as preparation method and application thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-03-09 | — | — | CN | claimed |
| CN-103304492-B | The synthetic method of a kind of EGFR inhibitor Dacomitinib | HUNAN OUYA BIOLOGICAL CO., LTD. (CN) | 2015-12-23 | — | — | 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-110028491-A | Fibroblast growth factor receptor inhibitor | 蓝图药品公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-101535279-B | Quinazoline based egfr inhibitors containing a zinc binding moiety | CURIS INC | 2015-05-20 | — | — | CN | disclosed |
| CN-103450096-B | Two nitrogen mustard derivatives, as well as preparation method and application therefore in tumor treatment | UNIV BEIJING NORMAL | 2015-04-29 | — | — | CN | disclosed |
| CN-104540809-A | Inhibitors of fibroblast growth factor receptors | BLUEPRINT MEDICINES | 2015-04-22 | — | — | CN | disclosed |