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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.41 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.38 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.38 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.63 |
| ▸ | C1S | P09871 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.38 |
| ▸ | KLK1 | P06870 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1528166 | 0.98 | DGAT1 (0.66) | DGAT1C1SNPC1ALDH1A1LMNA | |
| SCHEMBL16079251 | 0.82 | DGAT1 (0.50) | DGAT1C1SNPC1ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL26618126 | 0.80 | DGAT1 (0.96) | DGAT1NPC1ALDH1A1LMNAGAA | |
| Hydrochloric Acid SCHEMBL9162936 | 0.79 | CES2 (0.54) | DGAT1ALDH1A1KLK1KLK5F2 | |
| SCHEMBL25836108 | 0.78 | DGAT1 (0.56) | DGAT1C1SNPC1ALDH1A1LMNA | |
| SCHEMBL23205445 | 0.78 | DGAT1 (0.55) | DGAT1NPC1ALDH1A1LMNAGAA | |
| SCHEMBL150293 | 0.78 | DGAT1 (1.00) | DGAT1NPC1ALDH1A1LMNAGAA | |
| SCHEMBL13234349 | 0.78 | DGAT1 (0.55) | DGAT1NPC1ALDH1A1LMNAGAA | |
| SCHEMBL2897707 | 0.78 | DGAT1 (0.66) | DGAT1NPC1ALDH1A1LMNAGAA | |
| Hydrochloric Acid SCHEMBL8984200 | 0.78 | F12 (0.42) | DGAT1ALDH1A1LMNAF7KLK1 |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3845540-A1 | INTERMEDIATES FOR THE SYNTHESIS OF BENZOXAZEPIN COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2021-07-07 | — | — | EP | disclosed |
| EP-3404032-A2 | PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2018-11-21 | — | — | EP | disclosed |
| EP-2688891-B1 | BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2017-11-15 | — | — | EP | disclosed |
| US-9670228-B2 | Benzoxazepin PI3K inhibitor compounds and methods of use | GENENTECH, INC. (US) | 2017-06-06 | — | — | US | disclosed |
| US-20170081341-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2017-03-23 | — | — | US | disclosed |
| US-9546178-B2 | Benzoxazepin PI3K inhibitor compounds and methods of use | GENENTECH, INC. (US) | 2017-01-17 | — | — | US | disclosed |
| US-9303043-B2 | Process for making benzoxazepin compounds | GREENTECH, INC. (US) | 2016-04-05 | — | — | US | disclosed |
| EP-2711368-B1 | Benzoxazepin PI3K inhibitor compounds and methods of use | HOFFMANN LA ROCHE (CH) | 2016-03-23 | — | — | EP | disclosed |
| US-20160052933-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2016-02-25 | — | — | US | disclosed |
| EP-2970329-A1 | PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2016-01-20 | — | — | EP | disclosed |
| US-8586574-B2 | Benzoxazepin PI3K inhibitor compounds and methods of use | GENENTECH, INC. (US) | 2013-11-19 | — | — | US | disclosed |
| US-20130079331-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2013-03-28 | — | — | US | disclosed |
| US-8343955-B2 | Benzoxazepin PI3K inhibitor compounds and methods of use | GENENTECH, INC. (US) | 2013-01-01 | — | — | US | disclosed |
| US-20120245144-A1 | BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE | GENENTECH, INC. (US) | 2012-09-27 | — | — | US | disclosed |
| US-20120244149-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BLAQUIERE NICOLE (US) | 2012-09-27 | — | — | US | disclosed |
| WO-2012126901-A1 | BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-27 | — | — | WO | disclosed |
| US-8242104-B2 | Benzoxazepin P13K inhibitor compounds and methods of use | F. HOFFMAN-LA ROCHE AG (CH) | 2012-08-14 | — | — | US | disclosed |
| EP-2483278-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011036280-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | WO | disclosed |
| US-20110076292-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120244149-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BMX, PIK3CA, PI4KA | GAA 3495/4885FLT1 3080/4885FLT4 1633/4885 |
| US-20120245144-A1 | BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE | PIK3CA, PIK3CD, PIK3R4 | GAA 2193/4885FLT1 2693/4885FLT4 2177/4885 |
| US-20130079331-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BMX, PIK3CA, PI4KA | GAA 3495/4885FLT1 3080/4885FLT4 1633/4885 |
| US-20160052933-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BMX, PIK3CA, PI4KA | GAA 3495/4885FLT1 3080/4885FLT4 1633/4885 |
| US-20110076292-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BMX, PIK3CA, PI4KA | GAA 3495/4885FLT1 3080/4885FLT4 1633/4885 |
| US-20170081341-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BMX, PIK3CA, PI4KA | GAA 3495/4885FLT1 3080/4885FLT4 1633/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.