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.
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 | |
|---|---|---|---|---|
| SCHEMBL3074439 | 0.97 | — | — | |
| SCHEMBL745482 | 0.78 | ALDH1A1 (0.54) | — | |
| Isobutane SCHEMBL28174686 | 0.76 | NFKB1 (0.41) | — | |
| SCHEMBL11428513 | 0.74 | HIF1A (0.42) | — | |
| SCHEMBL19315826 | 0.73 | ALDH1A1 (0.44) | — | |
| Isopropyl Alcohol SCHEMBL27418058 | 0.73 | HIF1A (0.45) | — | |
| SCHEMBL4433675 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL23917496 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL4489744 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6335251 | 0.71 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11352330-B2 | Phenoxymethyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2022-06-07 | — | — | US | disclosed |
| CN-108026077-B | Phenoxymethyl derivatives | 豪夫迈·罗氏有限公司 | 2021-11-05 | — | — | CN | disclosed |
| US-20200339522-A1 | PHENOXYMETHYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2020-10-29 | — | — | US | disclosed |
| EP-3344619-B1 | PHENOXYMETHYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2020-10-28 | — | — | EP | disclosed |
| US-10640472-B2 | Phenoxymethyl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2020-05-05 | — | — | US | disclosed |
| US-20180201588-A1 | PHENOXYMETHYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-07-19 | — | — | US | disclosed |
| EP-3344619-A1 | PHENOXYMETHYL DERIVATIVES | H. Hoffnabb-La Roche Ag (CH) | 2018-07-11 | — | — | EP | disclosed |
| WO-2017037146-A1 | PHENOXYMETHYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2017-03-09 | — | — | WO | disclosed |
| US-7923556-B2 | Phenyl-substituted pyrimidine compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-04-12 | — | — | US | disclosed |
| US-20100029649-A1 | PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-02-04 | — | — | US | disclosed |
| EP-1848714-A2 | PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006084017-A2 | PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-08-10 | — | — | WO | disclosed |
| US-20060178388-A1 | Phenyl-substituted pyrimidine compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-08-10 | — | — | US | disclosed |