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 | |
|---|---|---|---|---|
| ▸ | S1PR1 known ✓ | P21453 | 2/20 | 0.42 |
| ▸ | NTRK2 known ✓ | Q16620 | 1/20 | 0.40 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.38 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.36 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.36 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
| ▸ | OXTR | P30559 | 1/20 | 0.39 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 SCHEMBL3281306 | 0.88 | CD274 (0.43) | CD274S1PR1TYRO3NTRK2CLK4 | |
| Hydrochloric Acid SCHEMBL3276843 | 0.86 | S1PR1 (0.46) | CD274S1PR1NTRK2ASIC3KDM4E | |
| Hydrochloric Acid SCHEMBL2106873 | 0.78 | OXTR (0.62) | OXTRGAAACHE | |
| SCHEMBL24843605 | 0.77 | CD274 (0.51) | CD274S1PR1ASIC3 | |
| SCHEMBL28074539 | 0.76 | DYRK1A (0.44) | TYRO3NTRK2CLK4DYRK1BKCNH2 | |
| SCHEMBL17969055 | 0.76 | OXTR (0.64) | OXTRGAAACHE | |
| SCHEMBL400964 | 0.76 | OXTR (0.64) | OXTRGAAACHE | |
| SCHEMBL22722557 | 0.75 | CD274 (0.41) | CD274S1PR1OXTRASIC3KDM4E | |
| Water SCHEMBL15638338 | 0.74 | OXTR (0.62) | OXTRGAAACHE | |
| SCHEMBL22131607 | 0.73 | ALDH1A1 (0.50) | CD274S1PR1OXTRASIC3GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2123644-B1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-12-17 | — | — | EP | disclosed |
| US-8247403-B2 | Benzoxazepine derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-21 | — | — | US | disclosed |
| US-20100087418-A1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-04-08 | — | — | US | disclosed |
| EP-2123644-A1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-11-25 | — | — | EP | 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 (1 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-20100087418-A1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | HTR2C, HTR5A, HTR2B | S1PR1 1885/4885NTRK2 2554/4885GAA 2018/4885 |
“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.