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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 3/20 | 0.96 |
| ▸ | CDK4 known ✓ | P11802 | 1/20 | 0.42 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.38 |
| ▸ | CFB known ✓ | P00751 | 1/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | PRKACG | P22612 | 1/20 | 0.42 |
| ▸ | PRKACB | P22694 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.42 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.42 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.42 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.42 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.41 |
| ▸ | TNKS | O95271 | 5/20 | 0.39 |
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 SCHEMBL1944766 | 1.00 | PARP1 (0.96) | PARP1CCNE2CDK4PRKACAPRKACG | |
| Hydrochloric Acid SCHEMBL1946668 | 0.99 | PARP1 (0.98) | PARP1CCNE2CDK4PRKACAPRKACG | |
| Hydrochloric Acid SCHEMBL1946669 | 0.99 | PARP1 (0.98) | PARP1CCNE2CDK4PRKACAPRKACG | |
| Bromide SCHEMBL1946607 | 0.98 | PARP1 (0.96) | PARP1CCNE2CDK4PRKACAPRKACG | |
| Bromide SCHEMBL1946605 | 0.98 | PARP1 (0.96) | PARP1CCNE2CDK4PRKACAPRKACG | |
| SCHEMBL30090665 | 0.98 | PARP1 (1.00) | PARP1CCNE2CDK4PRKACAPRKACG | |
| SCHEMBL1946020 | 0.98 | PARP1 (1.00) | PARP1CCNE2CDK4PRKACAPRKACG | |
| SCHEMBL30417469 | 0.98 | PARP1 (1.00) | PARP1CCNE2CDK4PRKACAPRKACG | |
| SCHEMBL1945766 | 0.98 | PARP1 (1.00) | PARP1CCNE2CDK4PRKACAPRKACG | |
| SCHEMBL3443321 | 0.98 | PARP1 (1.00) | PARP1CCNE2CDK4PRKACAPRKACG |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2184282-B1 | NOVEL SALT OF ISOQUINOLINE COMPOUND AND CRYSTAL THEREOF | MITSUBISHI TANABE PHARMA CORP (JP) | 2014-10-08 | — | — | EP | disclosed |
| US-8309573-B2 | Salt of isoquinoline compound and crystal thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2012-11-13 | — | — | US | disclosed |
| US-20110130419-A1 | NOVEL SALT OF ISOQUINOLINE COMPOUND AND CRYSTAL THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2011-06-02 | — | — | US | disclosed |
| US-7812178-B2 | Isoquinoline compound and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-10-12 | — | — | US | disclosed |
| EP-2184282-A1 | NOVEL SALT OF ISOQUINOLINE COMPOUND AND CRYSTAL THEREOF | Mitsubishi Tanabe Pharma Corporation (JP) | 2010-05-12 | — | — | EP | disclosed |
| US-20090076276-A1 | ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-03-19 | — | — | US | disclosed |
| US-7459465-B2 | Isoquinoline compound and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2008-12-02 | — | — | US | disclosed |
| US-20070161620-A1 | ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF | MITSUBISHI PHARMA CORPORATION (JP) | 2007-07-12 | — | — | US | disclosed |
| US-7220759-B2 | Isoquinoline compound and pharmaceutical use thereof | MITSUBISHI PHARMA CORPORATION (JP) | 2007-05-22 | — | — | US | disclosed |
| EP-1557414-A1 | ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF | Mitsubishi Pharma Corporation (JP) | 2005-07-27 | — | — | EP | disclosed |
| US-20040248931-A1 | Isoquinoline compound and pharmaceutical use thereof | MITSUBISHI PHARMA CORPORATION (JP) | 2004-12-09 | — | — | 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 (4 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-20110130419-A1 | NOVEL SALT OF ISOQUINOLINE COMPOUND AND CRYSTAL THEREOF | IMPDH1, IMPDH2, MTAP | PARP1 415/4885CDK4 2764/4885HRH3 1424/4885 |
| US-20040248931-A1 | Isoquinoline compound and pharmaceutical use thereof | NQO1, PARP1, PARP11 | PARP1 2/4885CDK4 2649/4885HRH3 1161/4885 |
| US-20090076276-A1 | ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF | NQO1, PARP1, NUDT1 | PARP1 2/4885CDK4 2657/4885HRH3 1150/4885 |
| US-20070161620-A1 | ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF | NQO1, PARP1, NUDT1 | PARP1 2/4885CDK4 2657/4885HRH3 1150/4885 |
“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.