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 | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.56 |
| ▸ | HTR7 known ✓ | P34969 | 2/20 | 0.53 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 2/20 | 0.52 |
| ▸ | HTR3B known ✓ | O95264 | 2/20 | 0.52 |
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.52 |
| ▸ | HTR3D known ✓ | Q70Z44 | 2/20 | 0.52 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 2/20 | 0.52 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.51 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.51 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.49 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.49 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL899660 | 0.98 | ADRB1 (0.58) | ADRB1SIRT6ALDH1A1HTR7HTR3E | |
| SCHEMBL30984739 | 0.98 | ADRB1 (0.58) | ADRB1SIRT6ALDH1A1HTR7HTR3E | |
| SCHEMBL7987896 | 0.93 | ADRB1 (0.52) | ADRB1SIRT6ALDH1A1HTR7HTR3E | |
| Hydrochloric Acid SCHEMBL3252780 | 0.88 | ADRB1 (0.56) | ADRB1SIRT6ALDH1A1HTR7HTR3E | |
| SCHEMBL5205570 | 0.87 | ADRB1 (0.58) | ADRB1SIRT6ALDH1A1HTR7HTR3E | |
| Tert-Butyl Formate SCHEMBL27925826 | 0.86 | HTR6 (0.46) | ADRB1SIRT6ALDH1A1HTR7HTR3E | |
| SCHEMBL30984810 | 0.85 | ADAM10 (0.48) | ADRB1SIRT6ALDH1A1HTR7LMNA | |
| SCHEMBL242441 | 0.83 | GAA (0.69) | ALDH1A1LMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6221391 | 0.83 | GAA (0.69) | ALDH1A1LMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7049102 | 0.83 | GAA (0.60) | ALDH1A1LMNACYP1A2CYP3A4CYP2C19 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2017278-B1 | DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE | MSD KK (JP) | 2016-11-02 | — | — | EP | disclosed |
| US-20140303178-A1 | DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES | MSD KK (JP) | 2014-10-09 | — | — | US | disclosed |
| US-8791125-B2 | Dihydropyrazolopyrimidinone derivatives | MSD K.K. (JP) | 2014-07-29 | — | — | US | disclosed |
| EP-2213673-B1 | PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE | MSD KK (JP) | 2013-06-05 | — | — | EP | disclosed |
| US-8329711-B2 | Pyridone-substituted-dihydropyrazolopyrimidinone derivative | MSD K.K. (JP) | 2012-12-11 | — | — | US | disclosed |
| CN-101432284-B | Dihydropyrazolopyrimidinone derivative | MSD KK | 2012-08-15 | — | — | CN | disclosed |
| US-20110189130-A1 | DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES | SAGARA TAKESHI | 2011-08-04 | — | — | US | disclosed |
| US-7935708-B2 | Dihydropyrazolopyrimidinone derivatives | MSD K.K. (JP) | 2011-05-03 | — | — | US | disclosed |
| US-7834019-B2 | Substituted pyrazolo[3,4-d]pyrimidinone derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20100221211-A1 | PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE | MSD K.K. (JP) | 2010-09-02 | — | — | US | disclosed |
| EP-2213673-A1 | PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE | Banyu Pharmaceutical Co., Ltd. (JP) | 2010-08-04 | — | — | EP | disclosed |
| US-20100063024-A1 | Dihydropyrazolopyrimidinone Derivatives | MERCK SHARP & DOHME LLC | 2010-03-11 | — | — | US | disclosed |
| CN-101432284-A | Dihydropyrazolopyrimidinone derivative | BANYU PHARMA CO LTD (JP) | 2009-05-13 | — | — | CN | disclosed |
| EP-2017278-A1 | DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-01-21 | — | — | EP | disclosed |
| US-20070254892-A1 | Dihydropyrazolopyrimidinone derivatives | MSD K.K. (JP) | 2007-11-01 | — | — | 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 (5 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-20110189130-A1 | DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES | WEE1, WEE2, GRK3 | ADRB1 475/4885HTR7 2297/4885HTR3E 856/4885 |
| US-20100221211-A1 | PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE | WEE1, WEE2, CCNE1 | ADRB1 2900/4885HTR7 2933/4885HTR3E 1476/4885 |
| US-20100063024-A1 | Dihydropyrazolopyrimidinone Derivatives | WEE1, WEE2, GRK3 | ADRB1 475/4885HTR7 2297/4885HTR3E 856/4885 |
| US-20070254892-A1 | Dihydropyrazolopyrimidinone derivatives | WEE1, WEE2, GRK3 | ADRB1 475/4885HTR7 2297/4885HTR3E 856/4885 |
| US-20140303178-A1 | DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES | WEE1, WEE2, GRK3 | ADRB1 475/4885HTR7 2297/4885HTR3E 856/4885 |
“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.