Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Demannose. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.36 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 7/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Demannose SCHEMBL15085556 | 0.87 | TSHR (0.39) | TSHRHPGDALDH1A1TP53HIF1A | |
| Demannose SCHEMBL6315218 | 0.83 | TSHR (0.47) | TSHRHPGDALDH1A1CYP3A4 | |
| Demannose SCHEMBL17423966 | 0.81 | LMNA (0.35) | TSHRPDE4ALMNAL3MBTL1 | |
| Mannitol SCHEMBL28918397 | 0.78 | TSHR (0.62) | TSHRHPGDALDH1A1TP53HIF1A | |
| Propylene Glycol SCHEMBL6681454 | 0.77 | TSHR (0.58) | TSHRHPGDALDH1A1TP53HIF1A | |
| Demannose SCHEMBL5073109 | 0.77 | LMNA (0.48) | HIF1APDE4ALMNAL3MBTL1 | |
| Water SCHEMBL27345982 | 0.76 | — | — | |
| Xylose SCHEMBL28190624 | 0.76 | TSHR (0.34) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL2955659 | 0.76 | TSHR (0.48) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL4268364 | 0.76 | TSHR (0.48) | TSHRHPGDALDH1A1TP53HIF1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107955173-A | A kind of new concrete defoamer and its synthetic method | 中建西部建设北方有限公司 | 2018-04-24 | — | — | CN | claimed |
| CN-105293990-B | A kind of self-emulsifying concrete defoamer and preparation method thereof | 中建商品混凝土有限公司 | 2017-10-24 | — | — | CN | claimed |
| CN-105293990-A | Self-emulsifying concrete defoamer and preparation method thereof | CSCEC COMMERCIAL CONCRETE CO | 2016-02-03 | — | — | CN | claimed |
| CN-107955173-A | A kind of new concrete defoamer and its synthetic method | 中建西部建设北方有限公司 | 2018-04-24 | — | — | CN | disclosed |
| CN-105293990-B | A kind of self-emulsifying concrete defoamer and preparation method thereof | 中建商品混凝土有限公司 | 2017-10-24 | — | — | CN | disclosed |
| CN-105293990-A | Self-emulsifying concrete defoamer and preparation method thereof | CSCEC COMMERCIAL CONCRETE CO | 2016-02-03 | — | — | CN | disclosed |