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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.49 |
| ▸ | KDR known ✓ | P35968 | 3/20 | 0.43 |
| ▸ | KIT known ✓ | P10721 | 2/20 | 0.43 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.43 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.43 |
| ▸ | CSF1R known ✓ | P07333 | 2/20 | 0.40 |
| ▸ | MAPK14 known ✓ | Q16539 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | ILK | Q13418 | 1/20 | 0.43 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 2/20 | 0.40 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL245411 | 0.98 | PARP1 (0.50) | PARP1LOXL2SMYD3KDRKIT | |
| SCHEMBL245393 | 0.86 | PARP1 (0.48) | PARP1LOXL2SMYD3KDRKIT | |
| Hydrochloric Acid SCHEMBL244051 | 0.85 | PARP1 (0.50) | PARP1LOXL2SMYD3KDRKIT | |
| Hydrochloric Acid SCHEMBL29859597 | 0.84 | PARP1 (0.50) | PARP1LOXL2SMYD3KITCSF1R | |
| Hydrochloric Acid SCHEMBL18397685 | 0.84 | PARP1 (0.50) | PARP1LOXL2SMYD3KITCSF1R | |
| Hydrochloric Acid SCHEMBL244555 | 0.84 | PARP1 (0.49) | PARP1LOXL2SMYD3KDRKIT | |
| SCHEMBL246824 | 0.83 | PARP1 (0.51) | PARP1LOXL2SMYD3KDRKIT | |
| SCHEMBL18922125 | 0.83 | SMYD3 (0.58) | PARP1LOXL2SMYD3KDRKIT | |
| SCHEMBL30542691 | 0.83 | PARP1 (0.51) | PARP1LOXL2SMYD3KDRKIT | |
| SCHEMBL31256801 | 0.82 | PARP1 (0.50) | PARP1LOXL2SMYD3KDRKIT |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2274299-B1 | HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES | BAYER IP GMBH (DE) | 2016-06-15 | — | — | EP | disclosed |
| US-20160130230-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-05-12 | — | — | US | disclosed |
| US-9205077-B2 | 2-alkoxy-substituted dicyanopyridines and their use | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-12-08 | — | — | US | disclosed |
| US-9187428-B2 | Substituted dicyanopyridines and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-11-17 | — | — | US | disclosed |
| US-20140296295-A1 | 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-10-02 | — | — | US | disclosed |
| US-8791146-B2 | 2-alkoxy-substituted dicyanopyridines and their use | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-07-29 | — | — | US | disclosed |
| US-20130210795-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-08-15 | — | — | US | disclosed |
| EP-2297104-B1 | 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER IP GMBH (DE) | 2013-08-07 | — | — | EP | disclosed |
| EP-2588454-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-05-08 | — | — | EP | disclosed |
| US-8426602-B2 | Heteroaryl-substituted dicyanopyridines and their use | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-04-23 | — | — | US | disclosed |
| WO-2012000945-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-01-05 | — | — | WO | disclosed |
| US-20110207698-A1 | HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-08-25 | — | — | US | disclosed |
| US-20110136871-A1 | 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE | BAYER SCHERING AKTIENGESELLSCHAFT (DE) | 2011-06-09 | — | — | US | disclosed |
| EP-2297104-A1 | 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-03-23 | — | — | EP | disclosed |
| US-20110021487-A1 | CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-27 | — | — | US | disclosed |
| EP-2242741-A1 | CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-10-27 | — | — | EP | disclosed |
| WO-2009143992-A1 | 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-12-03 | — | — | WO | disclosed |
| WO-2009100827-A1 | CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-08-20 | — | — | 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 (6 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-20130210795-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | QDPR, DPYD, DDC | PARP1 1298/4885KDR 867/4885KIT 1407/4885 |
| US-20110021487-A1 | CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE | PC, DPP4, FABP3 | PARP1 1166/4885KDR 1240/4885KIT 3079/4885 |
| US-20110136871-A1 | 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE | QDPR, TNNI3, TNNT2 | PARP1 802/4885KDR 568/4885KIT 2289/4885 |
| US-20160130230-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | QDPR, DPYD, DDC | PARP1 1298/4885KDR 867/4885KIT 1407/4885 |
| US-20140296295-A1 | 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE | QDPR, TNNI3, TNNT2 | PARP1 802/4885KDR 568/4885KIT 2289/4885 |
| US-20110207698-A1 | HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE | QDPR, TNNI3, SDHA | PARP1 902/4885KDR 865/4885KIT 3094/4885 |
“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.