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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.44 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.42 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.41 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 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 SCHEMBL1173192 | 1.00 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2D6PKMCA1 | |
| SCHEMBL2171798 | 0.98 | CYP1A2 (0.59) | CYP1A2CYP2C19CYP2D6PKMCA1 | |
| SCHEMBL15123482 | 0.80 | KMT2A (0.45) | CYP1A2CYP2C19CA1CA2CA5A | |
| SCHEMBL826639 | 0.80 | KMT2A (0.45) | CYP1A2CYP2C19CA1CA2CA5A | |
| SCHEMBL18982762 | 0.80 | KMT2A (0.45) | CYP1A2CYP2C19CA1CA2CA5A | |
| SCHEMBL1173430 | 0.80 | KMT2A (0.43) | CYP1A2CYP2C19CA1CA2CA5A | |
| SCHEMBL3407170 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2C19CA1CA2CA5A | |
| SCHEMBL245200 | 0.80 | KMT2A (0.43) | CYP1A2CYP2C19CA1CA2CA5A | |
| Hydrochloric Acid SCHEMBL28437808 | 0.79 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2D6PKMKMT2A | |
| Hydrochloric Acid SCHEMBL717267 | 0.79 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2D6PKMKMT2A |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2855469-B1 | 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2019-06-19 | — | — | EP | disclosed |
| EP-3083644-B1 | 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES | HOFFMANN LA ROCHE (CH) | 2019-03-13 | — | — | EP | disclosed |
| CN-108690052-A | 5- aryl -1- imino group -1- oxos-[1,2,4]Thiadiazine | 豪夫迈·罗氏有限公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-105683199-B | 5-aryl-1-imino-1-oxo- [1, 2, 4] thiadiazines | 豪夫迈·罗氏有限公司 | 2018-06-26 | — | — | CN | disclosed |
| CN-104334554-B | It is used as 5 amino [Isosorbide-5-Nitrae] thiazide of BACE1 inhibitor | 霍夫曼-拉罗奇有限公司 | 2017-10-31 | — | — | CN | disclosed |
| US-9605006-B2 | 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines | HOFFMANN-LA ROCHE INC. (US) | 2017-03-28 | — | — | US | disclosed |
| US-20160318952-A1 | 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES | HOFFMANN-LA ROCHE INC. (US) | 2016-11-03 | — | — | US | disclosed |
| EP-3083644-A1 | 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES | F. Hoffmann-La Roche AG (CH) | 2016-10-26 | — | — | EP | disclosed |
| US-9284284-B2 | Oxazine derivatives and their use in the treatment of disease | NOVARTIS AG (CH) | 2016-03-15 | — | — | US | disclosed |
| US-9273042-B2 | 5-amino[1,4]thiazines as BACE 1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2016-03-01 | — | — | US | disclosed |
| US-20120172359-A1 | Oxazine Derivatives and their Use in the Treatment of Neurological Disorders | NOVARTIS AG (CH) | 2012-07-05 | — | — | US | disclosed |
| EP-2467368-A1 | 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-06-27 | — | — | EP | disclosed |
| US-8207164-B2 | Oxazine derivatives and their use in the treatment of neurological disorders | NOVARTIS AG (CH) | 2012-06-26 | — | — | US | disclosed |
| EP-2456763-A1 | OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | Novartis AG (CH) | 2012-05-30 | — | — | EP | disclosed |
| US-8188079-B2 | 3-amino-5-phenyl-5,6-dihydro-2H-[1,4]oxazines | HOFFMAN-LA ROCHE INC. (US) | 2012-05-29 | — | — | US | disclosed |
| WO-2012006953-A1 | OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | NOVARTIS AG (CH) | 2012-01-19 | — | — | WO | disclosed |
| WO-2011020806-A1 | 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-02-24 | — | — | WO | disclosed |
| US-20110046122-A1 | 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES | SIENA BIOTECH S.P.A. (IT) | 2011-02-24 | — | — | US | disclosed |
| US-20110021520-A1 | OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | NOVARTIS AG | 2011-01-27 | — | — | US | disclosed |
| WO-2011009943-A1 | OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | NOVARTIS AG (CH) | 2011-01-27 | — | — | WO | 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 (4 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-20160318952-A1 | 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES | BACE1, BACE2, PSEN1 | CA2 3965/4885PARP1 1427/4885HDAC3 1574/4885 |
| US-20120172359-A1 | Oxazine Derivatives and their Use in the Treatment of Neurological Disorders | OTC, GRIK5, GRIN2C | CA2 926/4885PARP1 4628/4885HDAC3 954/4885 |
| US-20110021520-A1 | OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | OTC, GRIK5, GRIN2C | CA2 926/4885PARP1 4628/4885HDAC3 954/4885 |
| US-20110046122-A1 | 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES | BACE2, BACE1, APP | CA2 376/4885PARP1 2377/4885HDAC3 3341/4885 |
“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.