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 | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.59 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.59 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.59 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.59 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.59 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.59 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.59 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.59 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.59 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.59 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.43 |
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL73063 | 0.97 | HDAC3 (0.61) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrogen Sulfide SCHEMBL27894390 | 0.95 | HDAC3 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Bromide SCHEMBL27764653 | 0.95 | HDAC3 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28079333 | 0.95 | HDAC3 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrogen Sulfide SCHEMBL28066375 | 0.95 | HDAC3 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28727492 | 0.95 | HDAC3 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Bromomethane SCHEMBL209562 | 0.95 | HDAC3 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28079327 | 0.95 | HDAC3 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28079189 | 0.95 | HDAC3 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL27886095 | 0.93 | HDAC3 (0.57) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7851483-B2 | administering a salt of 7-[(2,2-diphenylpropanoyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane and a steroid selected from flunisolide, beclomethasone, triamcinolone, budesonide, fluticasone, mometasone, ciclesonide, rofleponide or dexamethasone, for the treatment of asthma or COPD | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2010-12-14 | — | — | US | disclosed |
| EP-2104500-A2 | SUBSTITUTED PIPERIZINES FOR THE TREATMENT OF PAIN | Merck & Co., Inc. (US) | 2009-09-30 | — | — | EP | disclosed |
| US-20090155185-A1 | MEDICAMENTS FOR INHALATION COMPRISING AN ANTICHOLINERGIC AND A BETAMIMETIC | MEADE CHRISTOPHER JOHN MONTAGUE | 2009-06-18 | — | — | US | disclosed |
| US-7417051-B2 | Medicaments comprising betamimetics and a novel anticholinergic | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2008-08-26 | — | — | US | disclosed |
| US-20080139578-A1 | Substituted piperizines for the treatment of pain | MERCK & CO., INC. | 2008-06-12 | — | — | US | disclosed |
| WO-2008066803-A2 | SUBSTITUTED PIPERIZINES FOR THE TREATMENT OF PAIN | MERCK & CO, INC. (US) | 2008-06-05 | — | — | WO | disclosed |
| US-20060276441-A1 | Medicaments comprising steroids and a novel anticholinergic | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2006-12-07 | — | — | US | disclosed |
| US-7084153-B2 | Medicaments comprising steroids and a novel anticholinergic | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2006-08-01 | — | — | US | disclosed |
| US-20050025718-A1 | Medicaments for inhalation comprising an anticholinergic and a betamimetic | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-02-03 | — | — | US | disclosed |
| US-20040010003-A1 | 9,9-dimethyl-3-oxa-9-azoniumtricyclo(3.3.1.0(2,4))nonanyl 2,2-diphenylpropionate quaternary salt | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-01-15 | — | — | US | disclosed |
| US-20040002502-A1 | Medicament combinations comprising heterocyclic compounds and a novel anticholinergic | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-01-01 | — | — | US | disclosed |
| US-20030223937-A1 | Medicaments comprising steroids and a novel anticholinergic | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-12-04 | — | — | US | disclosed |
| US-4140770-A | Benzoylethers and processes for their production | A. NATTERMANN & CIE. GMBH (DE) | 1979-02-20 | — | — | 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 (7 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-20080139578-A1 | Substituted piperizines for the treatment of pain | TRPV1, TRPA1, TRPV5 | HDAC3 1592/4885HDAC4 965/4885HDAC1 911/4885 |
| US-20040002502-A1 | Medicament combinations comprising heterocyclic compounds and a novel anticholinergic | CHRM3, ACHE, CHRM2 | HDAC3 560/4885HDAC4 981/4885HDAC1 1278/4885 |
| US-20090155185-A1 | MEDICAMENTS FOR INHALATION COMPRISING AN ANTICHOLINERGIC AND A BETAMIMETIC | ADRB2, CHRM3, ADRB1 | HDAC3 3565/4885HDAC4 3560/4885HDAC1 2950/4885 |
| US-20050025718-A1 | Medicaments for inhalation comprising an anticholinergic and a betamimetic | ADRB2, CHRM3, ADRB1 | HDAC3 3565/4885HDAC4 3560/4885HDAC1 2950/4885 |
| US-20030223937-A1 | Medicaments comprising steroids and a novel anticholinergic | CHRM3, CHRM2, CHRNB1 | HDAC3 2339/4885HDAC4 1356/4885HDAC1 1263/4885 |
| US-20040010003-A1 | 9,9-dimethyl-3-oxa-9-azoniumtricyclo(3.3.1.0(2,4))nonanyl 2,2-diphenylpropionate quaternary salt | ADRB1, ADRB3, ADRB2 | HDAC3 2796/4885HDAC4 3450/4885HDAC1 2484/4885 |
| US-20060276441-A1 | Medicaments comprising steroids and a novel anticholinergic | CHRM3, CHRNB1, ADRB2 | HDAC3 2404/4885HDAC4 1378/4885HDAC1 1557/4885 |
“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.