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 | |
|---|---|---|---|---|
| ▸ | BCHE known ✓ | P06276 | 1/20 | 0.68 |
| ▸ | TTR known ✓ | P02766 | 1/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 4/20 | 0.68 |
| ▸ | CES1 | P23141 | 4/20 | 0.68 |
| ▸ | ALB | P02768 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.45 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ASPH | Q12797 | 1/20 | 0.44 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
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 SCHEMBL31609616 | 1.00 | CES2 (0.68) | CES2CES1BCHEALBHPGD | |
| SCHEMBL365453 | 0.98 | CES2 (0.71) | CES2CES1BCHEALBHPGD | |
| SCHEMBL28157809 | 0.95 | CES2 (0.68) | CES2CES1BCHEALBHPGD | |
| Fluoride SCHEMBL6441128 | 0.95 | CES2 (0.68) | CES2CES1BCHEALBHPGD | |
| SCHEMBL27786089 | 0.95 | CES2 (0.68) | CES2CES1BCHEALBHPGD | |
| SCHEMBL27805264 | 0.95 | CES2 (0.68) | CES2CES1BCHEALBHPGD | |
| SCHEMBL336107 | 0.85 | ALDH1A1 (0.60) | CES2CES1BCHEALBHPGD | |
| SCHEMBL5310282 | 0.84 | CES2 (0.59) | CES2CES1BCHEALBHPGD | |
| SCHEMBL29021740 | 0.83 | CES2 (0.53) | CES2CES1BCHEALBHPGD | |
| SCHEMBL8904184 | 0.82 | CES2 (0.52) | CES2CES1BCHEALBHPGD |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113243382-A | Emamectin benzoate and hexaflumuron water dispersible granule and preparation method and preparation device thereof | 江苏东南植保有限公司 | 2021-08-13 | — | — | CN | disclosed |
| US-20100029655-A1 | Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them | LEIVERS MARTIN ROBERT | 2010-02-04 | — | — | US | disclosed |
| WO-2010006096-A1 | PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM | SMITHKLINE BEECHAM CORPORATION (US) | 2010-01-14 | — | — | WO | disclosed |
| WO-2009111501-A1 | DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-09-11 | — | — | WO | disclosed |
| US-20090226398-A1 | ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | GENELABS TECHNOLOGIES, INC. | 2009-09-10 | — | — | US | disclosed |
| US-7351826-B2 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | NEUROGEN CORPORATION (US) | 2008-04-01 | — | — | US | disclosed |
| US-20060135367-A1 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | NEUROGEN CORPORATION (US) | 2006-06-22 | — | — | US | disclosed |
| EP-1594848-A1 | ARYL ACID PYRIMIDINYL METHYL AMIDES, PYRIDAZINYL METHYL AMIDES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2005-11-16 | — | — | EP | disclosed |
| EP-1513527-A1 | PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS | Takeda Pharmaceutical Company Limited (JP) | 2005-03-16 | — | — | EP | disclosed |
| US-6825312-B2 | POLYCARBONATESTER COPOLYMER MOLDING MATERIALS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-11-30 | — | — | US | disclosed |
| WO-2004074259-A1 | ARYL ACID PYRIMIDINYL METHYL AMIDES, PYRIDAZINYL METHYL AMIDES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2004-09-02 | — | — | WO | disclosed |
| US-20040030090-A1 | Polycarbonates, polyester carbonates and polyesters with special branched terminal groups | BAYER AKTIENGESELLSCHAFT (DE) | 2004-02-12 | — | — | US | disclosed |
| WO-2003105845-A1 | PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-12-24 | — | — | WO | disclosed |
| US-4876382-A | Process for making fluorobenzoic acid fluorophenylesters | CENTRAL GLASS COMPANY, LIMITED (JP) | 1989-10-24 | — | — | 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 (3 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-20060135367-A1 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | GABRA2, GABRA1, GABRA5 | BCHE 1935/4885TTR 1032/4885CA2 2810/4885 |
| US-20090226398-A1 | ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | MAVS, SARS1, HAVCR2 | BCHE 1725/4885TTR 39/4885CA2 1373/4885 |
| US-20100029655-A1 | Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them | RPL35, HAVCR2, RPL5 | BCHE 2131/4885TTR 255/4885CA2 4220/4885 |
“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.