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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 9/20 | 0.51 |
| ▸ | BCHE known ✓ | P06276 | 7/20 | 0.51 |
| ▸ | CHRNE known ✓ | Q04844 | 2/20 | 0.49 |
| ▸ | CACNB4 known ✓ | O00305 | 1/20 | 0.49 |
| ▸ | CACNA1A known ✓ | O00555 | 1/20 | 0.49 |
| ▸ | CACNA1G known ✓ | O43497 | 1/20 | 0.49 |
| ▸ | CACNG3 known ✓ | O60359 | 1/20 | 0.49 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.49 |
| ▸ | CACNA1H known ✓ | O95180 | 1/20 | 0.49 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.49 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.49 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.49 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.49 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.49 |
| ▸ | CACNB3 known ✓ | P54284 | 1/20 | 0.49 |
| ▸ | CACNA2D1 known ✓ | P54289 | 1/20 | 0.49 |
| ▸ | CACNG7 known ✓ | P62955 | 1/20 | 0.49 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.49 |
| ▸ | CACNA1D known ✓ | Q01668 | 1/20 | 0.49 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL639023 | 0.81 | CHRNE (0.50) | ACHEBCHETHRBALDH1A1TSHR | |
| SCHEMBL13444589 | 0.78 | ACHE (0.46) | ACHEBCHETHRBALDH1A1TSHR | |
| SCHEMBL3263191 | 0.72 | ACHE (0.50) | ACHEBCHETHRBALDH1A1TSHR | |
| SCHEMBL3263193 | 0.72 | ACHE (0.50) | ACHEBCHETHRBALDH1A1TSHR | |
| SCHEMBL8349279 | 0.72 | ACHE (0.54) | ACHEBCHETHRBALDH1A1TSHR | |
| SCHEMBL2801708 | 0.72 | ACHE (0.50) | ACHEBCHETHRBALDH1A1TSHR | |
| Tacrine SCHEMBL4850100 | 0.71 | ACHE (0.91) | ACHEBCHETHRBALDH1A1TSHR | |
| SCHEMBL2800503 | 0.70 | BCHE (0.51) | ACHEBCHETHRBALDH1A1TSHR | |
| SCHEMBL25771767 | 0.70 | BCHE (0.51) | ACHEBCHETHRBALDH1A1TSHR | |
| SCHEMBL25795846 | 0.70 | BCHE (0.51) | ACHEBCHETHRBALDH1A1TSHR |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10202383-B2 | 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-02-12 | — | — | US | disclosed |
| EP-3424926-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2019-01-09 | — | — | EP | disclosed |
| US-20180291025-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INT (DE) | 2018-10-11 | — | — | US | disclosed |
| US-10023574-B2 | 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-07-17 | — | — | US | disclosed |
| US-20180057495-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INT (DE) | 2018-03-01 | — | — | US | disclosed |
| US-20170081329-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INT (DE) | 2017-03-23 | — | — | US | disclosed |
| US-9556175-B2 | 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and thier use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-01-31 | — | — | US | disclosed |
| US-20160194327-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INT (DE) | 2016-07-07 | — | — | US | disclosed |
| US-9321791-B2 | 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-04-26 | — | — | US | disclosed |
| US-20150291627-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INT (DE) | 2015-10-15 | — | — | US | disclosed |
| US-20080249089-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2008-10-09 | — | — | US | disclosed |
| US-7407955-B2 | 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2008-08-05 | — | — | US | disclosed |
| EP-1575925-A1 | NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2005-09-21 | — | — | EP | disclosed |
| EP-1562946-A1 | NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2005-08-17 | — | — | EP | disclosed |
| EP-1532149-A2 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-05-25 | — | — | EP | disclosed |
| US-20040138214-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-15 | — | — | US | disclosed |
| WO-2004056784-A1 | NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-08 | — | — | WO | disclosed |
| WO-2004041820-A1 | NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-21 | — | — | WO | disclosed |
| US-20040097510-A1 | 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-20 | — | — | US | disclosed |
| WO-2004018468-A2 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-03-04 | — | — | 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 (10 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-20040138214-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | DPP4, DPP7, DPP3 | ACHE 469/4885BCHE 872/4885CHRNE 2119/4885 |
| US-10202383-B2 | 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions | DPP8, DPP4, DPP3 | ACHE 430/4885BCHE 881/4885CHRNE 2972/4885 |
| US-20180057495-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | DPP8, DPP4, DPP3 | ACHE 430/4885BCHE 881/4885CHRNE 2972/4885 |
| US-20180291025-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | DPP8, DPP4, DPP3 | ACHE 430/4885BCHE 881/4885CHRNE 2972/4885 |
| US-20080249089-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | DPP8, DPP4, DPP3 | ACHE 453/4885BCHE 938/4885CHRNE 2973/4885 |
| US-20170081329-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | DPP8, DPP4, DPP3 | ACHE 430/4885BCHE 881/4885CHRNE 2972/4885 |
| US-20150291627-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | DPP8, DPP4, DPP3 | ACHE 430/4885BCHE 881/4885CHRNE 2972/4885 |
| US-20160194327-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | DPP8, DPP4, DPP3 | ACHE 430/4885BCHE 881/4885CHRNE 2972/4885 |
| US-20040097510-A1 | 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions | DPP8, DPP4, DPP3 | ACHE 827/4885BCHE 1313/4885CHRNE 2456/4885 |
| US-10023574-B2 | 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions | DPP8, DPP4, DPP3 | ACHE 430/4885BCHE 881/4885CHRNE 2972/4885 |
“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.