Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Dinitrophenylene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 6/20 | 0.94 |
| ▸ | LMNA | P02545 | 2/20 | 0.94 |
| ▸ | CES2 | O00748 | 1/20 | 0.68 |
| ▸ | CES1 | P23141 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA5A | P35218 | 1/20 | 0.57 |
| ▸ | FBP1 | P09467 | 1/20 | 0.55 |
| ▸ | VCP | P55072 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL27324143 | 1.00 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL36632 | 0.97 | TSHR (1.00) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL29291896 | 0.97 | TSHR (1.00) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL28620811 | 0.95 | TSHR (0.85) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL29143070 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL29834109 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL9733861 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL30600045 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL9733868 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL2997371 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107459483-B | A kind of cell membrane targeting H2S fluorescence probe and its preparation method and application | 武汉大学 | 2019-05-24 | — | — | CN | disclosed |
| CN-107459483-A | A kind of cell membrane targets H2S fluorescence probes and its preparation method and application | 武汉大学 | 2017-12-12 | — | — | CN | disclosed |