Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Domitroban. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXA2R | P21731 | 7/20 | 0.98 |
| ▸ | PTGDR | Q13258 | 18/20 | 0.86 |
| ▸ | PTGIR | P43119 | 3/20 | 0.86 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| Domitroban SCHEMBL7600957 | 1.00 | TBXA2R (0.98) | TBXA2RPTGDRPTGIRTBXAS1 | |
| Domitroban SCHEMBL27571942 | 1.00 | TBXA2R (0.98) | TBXA2RPTGDRPTGIRTBXAS1 | |
| Domitroban SCHEMBL8539385 | 1.00 | TBXA2R (0.98) | TBXA2RPTGDRPTGIRTBXAS1 | |
| Domitroban SCHEMBL7600963 | 1.00 | TBXA2R (0.98) | TBXA2RPTGDRPTGIRTBXAS1 | |
| Domitroban SCHEMBL8539382 | 1.00 | TBXA2R (0.98) | TBXA2RPTGDRPTGIRTBXAS1 | |
| Domitroban SCHEMBL710021 | 0.99 | TBXA2R (0.96) | TBXA2RPTGDRPTGIRTBXAS1 | |
| Domitroban SCHEMBL124474 | 0.99 | TBXA2R (0.96) | TBXA2RPTGDRPTGIRTBXAS1 | |
| Domitroban SCHEMBL2232269 | 0.99 | TBXA2R (1.00) | TBXA2RPTGDRPTGIRTBXAS1 | |
| Domitroban SCHEMBL361563 | 0.99 | TBXA2R (1.00) | TBXA2RPTGDRPTGIRTBXAS1 | |
| Domitroban SCHEMBL2923394 | 0.99 | TBXA2R (1.00) | TBXA2RPTGDRPTGIRTBXAS1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906754-B1 | RAPID-RELEASE S1452 TABLETS | SHIONOGI & CO (JP) | 2002-12-11 | — | — | EP | claimed |
| US-6056974-A | PRINCIPAL AGENT COMPRISING (+)-(Z)-CALCIUM 7-((1R,2S,3S,4S)-3-BENZENESULFONAIDOBICYCLO(2.2.1)HEPT-2-YL)-5 -HEPTENOATE DIHYDRATE, AND A DISPERSANT IN AN AMOUNT ENOUGH TO DISPERSE THE PRINCIPAL AGENT AFTER THE DISINTEGRATION OF THE | SHIONOGI & CO., LTD. (JP) | 2000-05-02 | — | — | US | claimed |
| EP-0906754-A1 | RAPID-RELEASE S1452 TABLETS | SHIONOGI & CO., LTD. (JP) | 1999-04-07 | — | — | EP | claimed |
| EP-0906754-B1 | RAPID-RELEASE S1452 TABLETS | SHIONOGI & CO (JP) | 2002-12-11 | — | — | EP | disclosed |
| US-6056974-A | PRINCIPAL AGENT COMPRISING (+)-(Z)-CALCIUM 7-((1R,2S,3S,4S)-3-BENZENESULFONAIDOBICYCLO(2.2.1)HEPT-2-YL)-5 -HEPTENOATE DIHYDRATE, AND A DISPERSANT IN AN AMOUNT ENOUGH TO DISPERSE THE PRINCIPAL AGENT AFTER THE DISINTEGRATION OF THE | SHIONOGI & CO., LTD. (JP) | 2000-05-02 | — | — | US | disclosed |
| US-6056974-A | PRINCIPAL AGENT COMPRISING (+)-(Z)-CALCIUM 7-((1R,2S,3S,4S)-3-BENZENESULFONAIDOBICYCLO(2.2.1)HEPT-2-YL)-5 -HEPTENOATE DIHYDRATE, AND A DISPERSANT IN AN AMOUNT ENOUGH TO DISPERSE THE PRINCIPAL AGENT AFTER THE DISINTEGRATION OF THE | SHIONOGI & CO., LTD. (JP) | 2000-05-02 | — | — | US | disclosed |
| EP-0906754-A1 | RAPID-RELEASE S1452 TABLETS | SHIONOGI & CO., LTD. (JP) | 1999-04-07 | — | — | EP | disclosed |
| EP-0906754-A1 | RAPID-RELEASE S1452 TABLETS | SHIONOGI & CO., LTD. (JP) | 1999-04-07 | — | — | EP | disclosed |