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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | PARP1 known ✓ | P09874 | 6/20 | 0.43 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | GSK3B | P49841 | 6/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.47 |
| ▸ | WNT1 | P04628 | 4/20 | 0.47 |
| ▸ | TNKS | O95271 | 7/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 7/20 | 0.43 |
| ▸ | PLAT | P00750 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL408283 | 0.98 | MEN1 (0.51) | MEN1CYP2D6KMT2AGSK3BDYRK1A | |
| Hydrochloric Acid SCHEMBL461873 | 0.82 | MEN1 (0.49) | MEN1CYP2D6KMT2ADYRK1AHRH3 | |
| Hydrochloric Acid SCHEMBL17243327 | 0.82 | ACHE (0.49) | MEN1CYP2D6KMT2AGSK3BDYRK1A | |
| SCHEMBL17252020 | 0.81 | MEN1 (0.47) | MEN1CYP2D6KMT2ADYRK1AHRH3 | |
| SCHEMBL18624033 | 0.81 | ACHE (0.50) | MEN1CYP2D6KMT2AGSK3BDYRK1A | |
| SCHEMBL16462782 | 0.79 | WNT1 (0.47) | GSK3BDYRK1AWNT1TNKSTNKS2 | |
| SCHEMBL463382 | 0.78 | TNKS (0.43) | TNKSTNKS2PARP1 | |
| SCHEMBL438489 | 0.77 | TNKS (0.48) | MEN1KMT2ATNKSTNKS2PARP1 | |
| SCHEMBL15219421 | 0.76 | KDM5A (0.51) | GSK3BDYRK1A | |
| Hydrochloric Acid SCHEMBL22031762 | 0.74 | TNKS (0.56) | MEN1CYP2D6KMT2AGSK3BDYRK1A |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108137556-B | 1, 4-dicarbonyl-piperidinyl derivatives | 默克专利股份公司 | 2021-07-30 | — | — | CN | disclosed |
| US-10570116-B2 | 1,4-dicarbonyl-piperidyl derivatives | MERCK PATENT GMBH (DE) | 2020-02-25 | — | — | US | disclosed |
| EP-3371166-B1 | 1,4-DICARBONYL-PIPERIDYL DERIVATIVES | MERCK PATENT GMBH (DE) | 2019-11-20 | — | — | EP | disclosed |
| US-20190092751-A1 | 1,4-DICARBONYL-PIPERIDYL DERIVATIVES | MERCK PATENT GMBH (DE) | 2019-03-28 | — | — | US | disclosed |
| EP-3371166-A1 | 1,4-DICARBONYL-PIPERIDYL DERIVATIVES | Merck Patent GmbH (DE) | 2018-09-12 | — | — | EP | disclosed |
| EP-3140295-B1 | HETEROCYCLYL-BUTANAMIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-09-12 | — | — | EP | disclosed |
| US-9901577-B2 | Oxoquinazolinyl-butanamide derivatives | MERCK PATENT GMBH (DE) | 2018-02-27 | — | — | US | disclosed |
| US-9809598-B2 | Heterocyclyl-butanamide derivatives | MERCK PATENT GMBH (DE) | 2017-11-07 | — | — | US | disclosed |
| WO-2017076484-A1 | 1,4-DICARBONYL-PIPERIDYL DERIVATIVES | MERCK PATENT GMBH (DE) | 2017-05-11 | — | — | WO | disclosed |
| EP-3027598-B1 | OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2017-04-12 | — | — | EP | disclosed |
| US-20170073347-A1 | HETEROCYCLYL-BUTANAMIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2017-03-16 | — | — | US | disclosed |
| EP-3140295-A1 | HETEROCYCLYL-BUTANAMIDE DERIVATIVES | Merck Patent GmbH (DE) | 2017-03-15 | — | — | EP | disclosed |
| US-20160184310-A1 | OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2016-06-30 | — | — | US | disclosed |
| EP-3027598-A1 | OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES | Merck Patent GmbH (DE) | 2016-06-08 | — | — | EP | disclosed |
| WO-2015169421-A1 | HETEROCYCLYL-BUTANAMIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-11-12 | — | — | WO | disclosed |
| WO-2015014442-A1 | OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-02-05 | — | — | WO | disclosed |
| US-20120065196-A1 | AMIDE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-15 | — | — | 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-10570116-B2 | 1,4-dicarbonyl-piperidyl derivatives | TNKS, TANK, TBKBP1 | HRH3 4316/4885PARP1 23/4885ABL1 52/4885 |
| US-20190092751-A1 | 1,4-DICARBONYL-PIPERIDYL DERIVATIVES | TNKS, TANK, TBKBP1 | HRH3 4316/4885PARP1 23/4885ABL1 52/4885 |
| US-20160184310-A1 | OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES | TANK, IRAK3, TNKS | HRH3 1540/4885PARP1 76/4885ABL1 30/4885 |
| US-20120065196-A1 | AMIDE COMPOUNDS | DGAT2, DGAT1, DLAT | HRH3 3031/4885PARP1 4556/4885ABL1 3481/4885 |
| US-20170073347-A1 | HETEROCYCLYL-BUTANAMIDE DERIVATIVES | TNKS, TANK, TBKBP1 | HRH3 3387/4885PARP1 49/4885ABL1 137/4885 |
“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.