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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 known ✓ | P22460 | 3/20 | 0.98 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.98 |
| ▸ | DPP4 known ✓ | P27487 | 4/20 | 0.55 |
| ▸ | TACR1 known ✓ | P25103 | 9/20 | 0.53 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4686913 | 0.99 | KCNA5 (1.00) | KCNA5KCNH2DPP4TACR1MAPK8 | |
| SCHEMBL4686242 | 0.88 | KCNA5 (0.81) | KCNA5KCNH2DPP4TACR1MAPK8 | |
| SCHEMBL4686293 | 0.87 | KCNA5 (0.79) | KCNA5KCNH2DPP4TACR1MAPK8 | |
| SCHEMBL4689161 | 0.87 | KCNA5 (0.79) | KCNA5KCNH2DPP4TACR1MAPK8 | |
| SCHEMBL4688407 | 0.86 | KCNA5 (0.77) | KCNA5KCNH2DPP4TACR1MAPK8 | |
| SCHEMBL4686884 | 0.85 | KCNA5 (0.76) | KCNA5KCNH2DPP4MAPK8 | |
| SCHEMBL3115349 | 0.85 | KCNA5 (0.76) | KCNA5KCNH2DPP4TACR1MAPK8 | |
| SCHEMBL1381998 | 0.85 | KCNA5 (0.76) | KCNA5KCNH2DPP4TACR1MAPK8 | |
| SCHEMBL1382996 | 0.85 | KCNA5 (0.76) | KCNA5KCNH2DPP4TACR1MAPK8 | |
| SCHEMBL2904903 | 0.85 | KCNA5 (0.76) | KCNA5KCNH2DPP4TACR1MAPK8 |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1667973-B1 | QUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK SHARP & DOHME (US) | 2013-12-04 | — | — | EP | disclosed |
| EP-1667978-B1 | Isoquinolinone potassium channel inhibitors | MERCK SHARP & DOHME (US) | 2013-09-04 | — | — | EP | disclosed |
| EP-1776355-B1 | POTASSIUM CHANNEL INHIBITORS | MERCK SHARP & DOHME (US) | 2013-06-12 | — | — | EP | disclosed |
| US-8338449-B2 | Isoquinolinone potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-12-25 | — | — | US | disclosed |
| US-8278317-B2 | Potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-10-02 | — | — | US | disclosed |
| EP-1781635-B1 | POTASSIUM CHANNEL INHIBITORS | MERCK SHARP & DOHME (US) | 2012-06-13 | — | — | EP | disclosed |
| US-8148535-B2 | Potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-04-03 | — | — | US | disclosed |
| EP-1667685-B1 | QUINAZOLINE POTASSIUM CHANNEL INHIBITORS | MERCK SHARP & DOHME (US) | 2012-03-14 | — | — | EP | disclosed |
| US-7973059-B2 | Potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-07-05 | — | — | US | disclosed |
| EP-1951672-B1 | POTASSIUM CHANNEL INHIBITORS | MERCK SHARP & DOHME (US) | 2011-05-25 | — | — | EP | disclosed |
| US-20060270704-A1 | Isoquinolinone potassium channel inhibitors | MERCK SHARP & DOHME CORP. | 2006-11-30 | — | — | US | disclosed |
| EP-1667683-A2 | QUINOLINE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| US-20060030595-A1 | (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias | MERCK SHARP & DOHME LLC | 2006-02-09 | — | — | US | disclosed |
| WO-2005082424-A1 | BIOLOGICAL ASSAY | MERCK & CO., INC. (US) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005030129-A2 | QUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2005-04-07 | — | — | WO | disclosed |
| US-6870055-B2 | Isoquinolinone potassium channels inhibitors | MERCK & CO., INC. (US) | 2005-03-22 | — | — | US | disclosed |
| US-20040044030-A1 | Isoquinolinone potassium channels inhibitors | MERCK SHARP & DOHME CORP. | 2004-03-04 | — | — | US | disclosed |
| EP-1322619-A4 | ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2004-02-25 | — | — | EP | disclosed |
| EP-1322619-A1 | ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002024655-A1 | ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2002-03-28 | — | — | 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-20040044030-A1 | Isoquinolinone potassium channels inhibitors | KCNQ5, KCNQ1, KCNQ2 | KCNA5 9/4885KCNH2 6/4885DPP4 2484/4885 |
| US-20060270704-A1 | Isoquinolinone potassium channel inhibitors | KCNJ2, KCNQ1, KCNQ2 | KCNA5 21/4885KCNH2 5/4885DPP4 1671/4885 |
| US-20060030595-A1 | (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias | KCNN2, KCNJ2, KCNH2 | KCNA5 14/4885KCNH2 3/4885DPP4 255/4885 |
“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.