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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 known ✓ | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B known ✓ | P08514 | 1/20 | 0.34 |
| ▸ | CHRM2 known ✓ | P08172 | 4/20 | 0.33 |
| ▸ | CHRM4 known ✓ | P08173 | 4/20 | 0.33 |
| ▸ | CHRM5 known ✓ | P08912 | 4/20 | 0.33 |
| ▸ | CHRM1 known ✓ | P11229 | 4/20 | 0.33 |
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.33 |
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | F2R | P25116 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23002177 | 0.98 | ITGB3 (0.35) | CYP3A4ITGB3ITGA2BF2RCHRM2 | |
| SCHEMBL7425201 | 0.85 | SMN1; SMN2 (0.39) | SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2236019 | 0.77 | ITGB3 (0.36) | ITGB3ITGA2BF2RCHRM4CHRM5 | |
| Methyl Alcohol SCHEMBL28518805 | 0.75 | TACR1 (0.57) | CYP3A4KDM4EALDH1A1TACR1LMNA | |
| SCHEMBL2447521 | 0.75 | ITGB3 (0.46) | ITGB3ITGA2BF2RALDH1A1LMNA | |
| SCHEMBL10799648 | 0.74 | CHRM5 (0.42) | ITGB3ITGA2BF2RCHRM5SMN1; SMN2 | |
| SCHEMBL7033589 | 0.74 | ITGB3 (0.37) | ITGB3ITGA2BF2RCHRM4CHRM5 | |
| SCHEMBL13833735 | 0.74 | KMT2A (0.33) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL8129116 | 0.72 | SMN1; SMN2 (0.41) | CYP3A4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL4186198 | 0.72 | AGTR2 (0.49) | L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8865758-B2 | Pyrazolo piperidine derivatives as NADPH oxidase inhibitors | GENKYOTEX SA (CH) | 2014-10-21 | — | — | US | disclosed |
| EP-2467382-B1 | AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2014-06-25 | — | — | EP | disclosed |
| EP-2434885-B1 | ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2014-03-26 | — | — | EP | disclosed |
| EP-2536723-B1 | PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS | GENKYOTEX SA (CH) | 2013-12-11 | — | — | EP | disclosed |
| US-8492392-B2 | Alkoxy tetrahydro-pyridopyrimidine PDE10 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-07-23 | — | — | US | disclosed |
| EP-2536723-A1 | PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS | GenKyoTex SA (CH) | 2012-12-26 | — | — | EP | disclosed |
| US-20120316163-A1 | Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors | GENKYOTEX SA (CH) | 2012-12-13 | — | — | US | disclosed |
| CN-102762563-A | Pyrazolo piperidine derivatives as nadph oxidase inhibitors | GENKYOTEX SA | 2012-10-31 | — | — | CN | disclosed |
| EP-2467382-A1 | AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-06-27 | — | — | EP | disclosed |
| US-20120136012-A1 | AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP (US) | 2012-05-31 | — | — | US | disclosed |
| US-20120065211-A1 | ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-03-15 | — | — | US | disclosed |
| EP-2361911-A1 | Pyrazolo piperidine derivatives as NADPH oxidase inhibitors | GenKyoTex SA (CH) | 2011-08-31 | — | — | EP | disclosed |
| WO-2011101804-A1 | PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS | GENKYOTEX SA (CH) | 2011-08-25 | — | — | WO | disclosed |
| WO-2010138430-A1 | ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-12-02 | — | — | 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 (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-20120065211-A1 | ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS | PDE12, PDE4A, PDE5A | ITGB3 4836/4885ITGA2B 4830/4885CHRM2 2213/4885 |
| US-20120316163-A1 | Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors | NOX1, NOX4, NOX5 | ITGB3 1900/4885ITGA2B 1943/4885CHRM2 1877/4885 |
| US-20120136012-A1 | AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS | PDE12, PDE4A, PDE10A | ITGB3 4811/4885ITGA2B 4802/4885CHRM2 2358/4885 |
“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.