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 | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 3/20 | 0.33 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.32 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 4/20 | 0.36 |
| ▸ | AGXT | P21549 | 2/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP12 | P39900 | 2/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
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 SCHEMBL1630002 | 0.81 | TAAR1 (0.47) | IDO1MPOALDH1A1 | |
| Hydrochloric Acid SCHEMBL3665036 | 0.81 | TAAR1 (0.47) | IDO1MPOALDH1A1 | |
| SCHEMBL3252201 | 0.80 | TAAR1 (0.48) | IDO1MPOALDH1A1 | |
| Hydrochloric Acid SCHEMBL4714015 | 0.79 | MPO (0.38) | IDO1AGXTMPODPP4MAPK8 | |
| Hydrochloric Acid SCHEMBL3253701 | 0.78 | IDO1 (0.47) | IDO1AGXT | |
| SCHEMBL4846601 | 0.77 | MPO (0.39) | IDO1AGXTMPODPP4MAPK8 | |
| Hydrochloric Acid SCHEMBL3253024 | 0.76 | TAAR1 (0.49) | IDO1AGXT | |
| SCHEMBL3662510 | 0.75 | MMP2 (0.39) | MPODPP4MAPK8MMP2MMP12 | |
| Hydrochloric Acid SCHEMBL1623226 | 0.74 | IDO1 (0.37) | IDO1WDR5SMN1; SMN2 | |
| SCHEMBL1625043 | 0.72 | NLRP3 (0.41) | MMP2MMP12MMP1MMP9RIPK1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7928106-B2 | 2-[2-(2,5-Difluoro-phenyl)-ethoxymethyl]-3H-pteridin-4-one; 2-2-(3-Fluoro-phenyl)-ethoxymethyl]-3H-pyrimido[4,5-d]pyrimidin-4-one; (5-Oxo-5,6-dihydro-pyrimido[4,5-c]pyridazin-7-ylmethyl)-carbamic acid benzyl ester, useful in treating diseases which are modulated by HM74A agonists e.g. dyslipidemia | HOFFMANN-LA ROCHE INC. (US) | 2011-04-19 | — | — | US | disclosed |
| EP-2029601-B1 | PYRIDOPYRIMIDINONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-06-02 | — | — | EP | disclosed |
| EP-2139895-A1 | AZA-PYRIDOPYRIMIDINONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-01-06 | — | — | EP | disclosed |
| US-7572801-B2 | Pyridopyrimidinone derivatives which are HM74A agonists | HOFFMANN-LA ROCHE INC. (US) | 2009-08-11 | — | — | US | disclosed |
| EP-2029601-A1 | PYRIDOPYRIMIDINONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-03-04 | — | — | EP | disclosed |
| WO-2008116742-A1 | AZA-PYRIDOPYRIMIDINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-02 | — | — | WO | disclosed |
| US-20080234277-A1 | NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-25 | — | — | US | disclosed |
| US-20070275987-A1 | Novel pyridopyprimidinone derivatives which are HM74A agonists | HOFFMAN-LA ROCHE INC | 2007-11-29 | — | — | US | disclosed |
| WO-2007134986-A1 | PYRIDOPYRIMIDINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-11-29 | — | — | 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 (2 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-20070275987-A1 | Novel pyridopyprimidinone derivatives which are HM74A agonists | GPR119, HCAR1, GPR84 | DPP4 1451/4885MMP1 4222/4885HTR1A 68/4885 |
| US-20080234277-A1 | NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES | CHRM1, CHRM2, CHRM4 | DPP4 1248/4885MMP1 4625/4885HTR1A 88/4885 |
“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.