Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Dequalinium. 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 | |
|---|---|---|---|---|
| ▸ | PRKCA known ✓ | P17252 | 13/20 | 0.97 |
| ▸ | GLA known ✓ | P06280 | 2/20 | 0.97 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.97 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.97 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.97 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.97 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.97 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.97 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.97 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.97 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.97 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.97 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.97 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.97 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.97 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.97 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.97 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.97 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.97 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.97 |
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 | |
|---|---|---|---|---|
| Dequalinium SCHEMBL149457 | 0.98 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| SCHEMBL6298118 | 0.98 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| SCHEMBL6305111 | 0.98 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| Dequalinium SCHEMBL29557297 | 0.98 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| SCHEMBL6299633 | 0.98 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| Dequalinium SCHEMBL29577841 | 0.98 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| Dequalinium SCHEMBL2335922 | 0.97 | PRKCA (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| Dequalinium SCHEMBL2544854 | 0.97 | MEN1 (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| Dequalinium SCHEMBL34043 | 0.97 | MEN1 (1.00) | PRKCAMEN1GMNNLMNAPOLB | |
| Dequalinium SCHEMBL29380717 | 0.97 | MEN1 (1.00) | PRKCAMEN1GMNNLMNAPOLB |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180055840-A1 | ORAL FORMULATION | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2018-03-01 | — | — | US | disclosed |
| US-20170202833-A1 | ORAL FORMULATION | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2017-07-20 | — | — | US | disclosed |
| US-20150126521-A1 | Oral Formulation | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-05-07 | — | — | US | disclosed |
| EP-2844232-A1 | ORAL FORMULATION | Otsuka Pharmaceutical Co., Limited (JP) | 2015-03-11 | — | — | EP | disclosed |
| US-8629283-B2 | Compounds that modulate negative-sense, single-stranded RNA virus replication and uses thereof | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2014-01-14 | — | — | US | disclosed |
| WO-2013165021-A1 | ORAL FORMULATION | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-11-07 | — | — | WO | disclosed |
| US-20110105423-A1 | COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF | MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) | 2011-05-05 | — | — | US | disclosed |
| EP-2268272-A2 | COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF | Mount Sinai School of Medicine of New York University (US) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009136979-A2 | COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF | MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) | 2009-11-12 | — | — | WO | disclosed |
| US-4772470-A | LONG DURATION ADHESIVE, POLYMERIC FILM FOR ORAL MUCOSA OR TEETH; INCORPORATED TOPICAL DRUG | NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1988-09-20 | — | — | 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 (1 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-20110105423-A1 | COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF | EIF2AK2, NSUN2, ADAR | PRKCA 1954/4885GLA 1314/4885ESR1 4832/4885 |
“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.