Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Dioxethedrin. 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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 7/20 | 0.56 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.56 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.56 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.56 |
| ▸ | ADRB1 known ✓ | P08588 | 4/20 | 0.55 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.55 |
| ▸ | ADRB3 known ✓ | P13945 | 3/20 | 0.53 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.53 |
| ▸ | ADRA1D known ✓ | P25100 | 2/20 | 0.53 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.53 |
| ▸ | ADRA1B known ✓ | P35368 | 2/20 | 0.53 |
| ▸ | DRD3 known ✓ | P35462 | 2/20 | 0.53 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.53 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.53 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.47 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 9/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Dioxethedrin SCHEMBL249560 | 0.98 | ADRB2 (0.58) | KDM4ETDP1MAPK1ADRB2PTGS2 | |
| SCHEMBL19361289 | 0.85 | ADRB2 (0.55) | KDM4ETDP1MAPK1ADRB2PTGS2 | |
| Dioxifedrine SCHEMBL364347 | 0.81 | KDM4E (0.62) | KDM4ETDP1MAPK1ADRB2PTGS2 | |
| SCHEMBL13158643 | 0.81 | TDP1 (0.51) | KDM4ETDP1MAPK1ADRB2PTGS2 | |
| SCHEMBL10305082 | 0.81 | TDP1 (0.51) | KDM4ETDP1MAPK1ADRB2PTGS2 | |
| Dioxifedrine SCHEMBL250137 | 0.79 | TDP1 (0.61) | KDM4ETDP1MAPK1ADRB2PTGS2 | |
| SCHEMBL668000 | 0.79 | KDM4E (0.61) | KDM4ETDP1MAPK1ADRB2PTGS2 | |
| SCHEMBL8006571 | 0.79 | TDP1 (0.54) | KDM4ETDP1MAPK1ADRB2PTGS2 | |
| SCHEMBL27982685 | 0.78 | KDM4E (0.50) | KDM4ETDP1MAPK1ADRB2PTGS2 | |
| Hydrochloric Acid SCHEMBL11279633 | 0.77 | KDM4E (0.57) | KDM4ETDP1MAPK1ADRB2PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2806034-B1 | Compounds and uses thereof to induce an immunogenic cancer cell death in a subject | ROUSSY INST GUSTAVE (FR) | 2017-06-28 | — | — | EP | disclosed |
| EP-2806034-A1 | Compounds and uses thereof to induce an immunogenic cancer cell death in a subject | Institut Gustave Roussy (FR) | 2014-11-26 | — | — | EP | disclosed |
| US-8865653-B2 | Method of treatment for immunogenic treatment resistant cancer | INSTITUT GUSTAVE ROUSSY (FR) | 2014-10-21 | — | — | US | disclosed |
| US-8828944-B2 | Compounds and uses thereof to induce an immunogenic cancer cell death in a subject | INSTITUT GUSTAVE ROUSSY (FR) | 2014-09-09 | — | — | US | disclosed |
| US-20130156790-A1 | COMPOUNDS AND USES THEREOF TO INDUCE AN IMMUNOGENIC CANCER CELL DEATH IN A SUBJECT | INSTITUT GUSTAVE ROUSSY (FR) | 2013-06-20 | — | — | US | disclosed |
| US-20130052160-A1 | COMPOUNDS AND USES THEREOF TO INDUCE AN IMMUNOGENIC CANCER CELL DEATH IN A SUBJECT | INSTITUT GUSTAVE ROUSSY (FR) | 2013-02-28 | — | — | US | disclosed |
| EP-2561088-A1 | COMPOUNDS AND USES THEREOF TO INDUCE AN IMMUNOGENIC CANCER CELL DEATH IN A SUBJECT | Institut Gustave Roussy (FR) | 2013-02-27 | — | — | EP | disclosed |
| WO-2012007783-A1 | KITS AND METHODS FOR DETECTING THE ABILITY TO INDUCE AN IMMUNOGENIC CANCER CELL DEATH IN A SUBJECT | INSTITUT GUSTAVE ROUSSY (FR) | 2012-01-19 | — | — | WO | disclosed |
| WO-2011131246-A1 | COMPOUNDS AND USES THEREOF TO INDUCE AN IMMUNOGENIC CANCER CELL DEATH IN A SUBJECT | INSTITUT GUSTAVE ROUSSY (FR) | 2011-10-27 | — | — | WO | disclosed |
| WO-2011131472-A1 | COMPOUNDS AND USES THEREOF TO INDUCE AN IMMUNOGENIC CANCER CELL DEATH IN A SUBJECT | INSTITUT GUSTAVE ROUSSY (FR) | 2011-10-27 | — | — | WO | disclosed |