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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.37 |
| ▸ | ACHE known ✓ | P22303 | 9/20 | 0.37 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.35 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.34 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.34 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.34 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.34 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.34 |
| ▸ | SCN1A known ✓ | P35498 | 1/20 | 0.34 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.34 |
| ▸ | SCN7A known ✓ | Q01118 | 1/20 | 0.34 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19945790 | 0.98 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3ACHE | |
| Hydrochloric Acid SCHEMBL19924684 | 0.90 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3ACHE | |
| SCHEMBL19945783 | 0.88 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3ACHE | |
| Hydrochloric Acid SCHEMBL31111320 | 0.87 | ALDH1A1 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3ACHE | |
| SCHEMBL4636999 | 0.85 | ALDH1A1 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3ACHE | |
| SCHEMBL29495274 | 0.84 | EPHX1 (0.42) | ACHEEPHX1DNM1ALDH1A1 | |
| SCHEMBL25565603 | 0.82 | ALDH1A1 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3ACHE | |
| SCHEMBL12933446 | 0.81 | CYP1A2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3DNM1 | |
| Hydrochloric Acid SCHEMBL1065299 | 0.80 | ALDH1A1 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHRM2 | |
| SCHEMBL13041267 | 0.78 | ALDH1A1 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111801100-B | 7-substituted sulfoimidoyl purinone compounds and derivatives for the treatment and prevention of liver cancer | 豪夫迈·罗氏有限公司 | 2023-10-24 | — | — | CN | disclosed |
| CN-109641904-B | 7-substituted sulfoxy-purinone compounds for the treatment and prevention of viral infections | 豪夫迈·罗氏有限公司 | 2022-01-28 | — | — | CN | disclosed |
| EP-3865482-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2021-08-18 | — | — | EP | disclosed |
| EP-3504210-B1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2021-02-24 | — | — | EP | disclosed |
| US-20200385387-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2020-12-10 | — | — | US | disclosed |
| CN-111801100-A | 7-substituted sulfoxy-purinone compounds and derivatives for the treatment and prevention of liver cancer | 豪夫迈·罗氏有限公司 | 2020-10-20 | — | — | CN | disclosed |
| US-20200268762-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER | HOFFMANN-LA ROCHE INC. (US) | 2020-08-27 | — | — | US | disclosed |
| US-10752630-B2 | 7-substituted sulfonimidoylpurinone compounds for the treatment of virus infection | HOFMANN LA-ROCHE INC. (US) | 2020-08-25 | — | — | US | disclosed |
| US-20190256515-A1 | NOVEL SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2019-08-22 | — | — | US | disclosed |
| EP-3504210-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | H. Hoffnabb-La Roche Ag (CH) | 2019-07-03 | — | — | EP | disclosed |
| US-10233184-B2 | 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection | HOFFMANN-LA ROCHE INC. (US) | 2019-03-19 | — | — | US | disclosed |
| US-20180072730-A1 | NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2018-03-15 | — | — | US | disclosed |
| WO-2018041763-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2018-03-08 | — | — | 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 (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-10752630-B2 | 7-substituted sulfonimidoylpurinone compounds for the treatment of virus infection | FURIN, UGT1A7, SARS1 | CHRNB4 4880/4885CHRNA3 4878/4885ACHE 4862/4885 |
| US-20190256515-A1 | NOVEL SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | TPMT, SULT1E1, SULT1A1 | CHRNB4 4878/4885CHRNA3 4864/4885ACHE 4777/4885 |
| US-20200385387-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION | FURIN, UGT1A7, SARS1 | CHRNB4 4880/4885CHRNA3 4878/4885ACHE 4862/4885 |
| US-20200268762-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER | SULT1E1, SULT1A1, UGT2B7 | CHRNB4 4881/4885CHRNA3 4867/4885ACHE 4772/4885 |
| US-20180072730-A1 | NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | TPMT, SULT1E1, UGT1A7 | CHRNB4 4878/4885CHRNA3 4875/4885ACHE 4738/4885 |
| US-10233184-B2 | 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection | TPMT, UGT1A7, UGT2B7 | CHRNB4 4880/4885CHRNA3 4872/4885ACHE 4752/4885 |
“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.