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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 6/20 | 0.64 |
| ▸ | BCHE known ✓ | P06276 | 4/20 | 0.64 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.57 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.57 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.57 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.55 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.54 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 6/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3473102 | 0.99 | ACHE (0.66) | ACHEBACE1BCHESLC6A2SLC6A4 | |
| SCHEMBL4690024 | 0.90 | ACHE (0.69) | ACHEBACE1BCHESLC6A2SLC6A4 | |
| SCHEMBL3141850 | 0.86 | ACHE (0.60) | ACHEBACE1BCHEMEN1KMT2A | |
| Methylamine SCHEMBL27725391 | 0.86 | ACHE (0.64) | ACHEBACE1BCHESLC6A2SLC6A4 | |
| SCHEMBL7693701 | 0.85 | ACHE (0.68) | ACHEBACE1BCHESLC6A2SLC6A4 | |
| SCHEMBL5723548 | 0.84 | ACHE (0.66) | ACHEBACE1BCHESLC6A2SLC6A4 | |
| SCHEMBL4902967 | 0.83 | ACHE (0.64) | ACHEBACE1BCHESLC6A2SLC6A4 | |
| SCHEMBL7467264 | 0.82 | ACHE (0.71) | ACHEBACE1BCHESLC6A2SLC6A4 | |
| SCHEMBL8408493 | 0.81 | ACHE (0.69) | ACHEBACE1BCHESLC6A2SLC6A4 | |
| SCHEMBL10058198 | 0.80 | SLC6A2 (0.60) | ACHEBACE1BCHESLC6A2SLC6A4 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100310477-A1 | Pharmaceutical compositions based on anticholingerics and additional active ingredients | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG. (DE) | 2010-12-09 | — | — | US | disclosed |
| US-7776315-B2 | Pharmaceutical compositions based on anticholinergics and additional active ingredients | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2010-08-17 | — | — | US | disclosed |
| US-20050148562-A1 | Pharmaceutical compositions based on anticholinergics and additional active ingredients | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-07-07 | — | — | US | disclosed |
| US-20040151770-A1 | Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2004-08-05 | — | — | US | disclosed |
| US-6747044-B2 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; ANTIULCER AGENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2004-06-08 | — | — | US | disclosed |
| US-6696042-B2 | INHALATION AEROSOL COMPRISING TIOTROPIUM SALT AND PROPELLANT GAS; RESPIRATORY SYSTEM DISORDERS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2004-02-24 | — | — | US | disclosed |
| EP-1370293-A2 | NOVEL MEDICAMENT COMPOSITIONS BASED ON ANTICHOLINERGICS AND ON NK1 RECEPTOR ANTAGONISTS | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2003-12-17 | — | — | EP | disclosed |
| US-20030212075-A1 | PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND NK1-RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-11-13 | — | — | US | disclosed |
| US-6620438-B2 | Arylglycinamide derivatives | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-09-16 | — | — | US | disclosed |
| EP-1328516-A1 | NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS | Boehringer Ingelheim Pharma KG (DE) | 2003-07-23 | — | — | EP | disclosed |
| US-20030100565-A1 | Method for the treatment or prevention of atopic dermatitis | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2003-05-29 | — | — | US | disclosed |
| EP-1295599-A1 | Method for the treatment of prevention of atopic dermatitis | Boehringer Ingelheim International GmbH (DE) | 2003-03-26 | — | — | EP | disclosed |
| US-20020169181-A1 | Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-11-14 | — | — | US | disclosed |
| US-20020147219-A1 | Neurokinin antagonists | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-10-10 | — | — | US | disclosed |
| WO-2002069944-A2 | NOVEL MEDICAMENT COMPOSITIONS BASED ON ANTICHOLINERGICS AND ON NK1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-09-12 | — | — | WO | disclosed |
| WO-2002032865-A1 | NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-04-25 | — | — | 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 (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-20050148562-A1 | Pharmaceutical compositions based on anticholinergics and additional active ingredients | CHRM3, ADRA2C, PDE3A | ACHE 20/4885BCHE 147/4885SLC6A2 1044/4885 |
| US-20040151770-A1 | Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists | TACR2, CHRM3, TACR1 | ACHE 129/4885BCHE 221/4885SLC6A2 730/4885 |
| US-20020147219-A1 | Neurokinin antagonists | TACR2, TACR1, TAC3 | ACHE 1524/4885BCHE 1492/4885SLC6A2 669/4885 |
| US-20100310477-A1 | Pharmaceutical compositions based on anticholingerics and additional active ingredients | PDE4B, CHRM3, ADRA2C | ACHE 16/4885BCHE 249/4885SLC6A2 1105/4885 |
| US-20020169181-A1 | Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists | TACR2, CHRM3, TACR1 | ACHE 129/4885BCHE 221/4885SLC6A2 730/4885 |
| US-20030100565-A1 | Method for the treatment or prevention of atopic dermatitis | TACR1, BDKRB1, CPA3 | ACHE 1527/4885BCHE 1046/4885SLC6A2 511/4885 |
| US-20030212075-A1 | PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND NK1-RECEPTOR ANTAGONISTS | TACR2, CHRM3, TACR1 | ACHE 129/4885BCHE 221/4885SLC6A2 730/4885 |
“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.