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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | VDR | P11473 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | PRNP | P04156 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27432557 | 0.98 | MAPT (0.53) | MAPTPOLBCYP1A2NR1I3CYP3A4 | |
| SCHEMBL29487316 | 0.98 | MAPT (0.56) | MAPTPOLBCYP1A2NR1I3CYP3A4 | |
| SCHEMBL317214 | 0.98 | MAPT (0.56) | MAPTPOLBCYP1A2NR1I3CYP3A4 | |
| Acetic Acid SCHEMBL27515061 | 0.90 | MAPT (0.49) | MAPTPOLBCYP1A2NR1I3CYP3A4 | |
| SCHEMBL14688000 | 0.87 | MAPT (0.47) | MAPTPOLBCYP1A2NR1I3CYP3A4 | |
| Hydrochloric Acid SCHEMBL28183130 | 0.81 | LMNA (0.66) | MAPTPOLBCYP1A2NR1I3CYP3A4 | |
| Hydrochloric Acid SCHEMBL6017885 | 0.79 | CYP1A1 (0.58) | MAPTPOLBCYP1A2MAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28259141 | 0.79 | MAPT (0.53) | MAPTPOLBCYP1A2NR1I3CYP3A4 | |
| SCHEMBL6042690 | 0.78 | LMNA (0.68) | MAPTPOLBCYP1A2NR1I3CYP3A4 | |
| SCHEMBL26313710 | 0.78 | GPR3 (0.55) | MAPTPOLBCYP1A2MAPK1ALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-108276393-A | A kind of synthetic method of Doxazosin impurity | 合肥华方医药科技有限公司 | 2018-07-13 | — | — | CN | disclosed |
| CN-1158266-C | Chemical compounds | — | 2004-07-21 | — | — | CN | disclosed |
| CN-1125817-C | Quinazoline derivatives as VEGF inhibitors | ZENECA LTD (GB) | 2003-10-29 | — | — | CN | disclosed |
| CN-1116286-C | 4-anilinoquinazoline derivatives | ZENECA LTD (GB) | 2003-07-30 | — | — | CN | disclosed |
| CN-1391562-A | Quinazoline derivatives as medicaments | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | CN | disclosed |
| CN-1391561-A | Quinazoline compounds and pharmaceutical compositions containing them | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | CN | disclosed |
| CN-1321151-A | Chemical compounds | ASTRAZENECA AB (SE) | 2001-11-07 | — | — | CN | disclosed |
| EP-0954315-A2 | USE OF QUINAZOLINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT IN THE TREATMENT OF HYPERPROLIFERATIVE SKIN DISORDERS | Sugen, Inc. (US) | 1999-11-10 | — | — | EP | disclosed |
| CN-1212684-A | 4-anilinoquinazoline derivatives | ZENECA LTD (GB) | 1999-03-31 | — | — | CN | disclosed |
| CN-1211239-A | Quinazoline derivatives as VEGF inhibitors | ZENECA LTD (GB) | 1999-03-17 | — | — | CN | disclosed |
| WO-1998010767-A2 | USE OF QUINAZOLINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT IN THE TREATMENT OF HYPERPROLIFERATIVE SKIN DISORDERS | SUGEN, INC. (US) | 1998-03-19 | — | — | WO | disclosed |