Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | LPAR6 | P43657 | 2/20 | 0.30 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.30 |
| ▸ | LPAR4 | Q99677 | 2/20 | 0.30 |
| ▸ | LPAR5 | Q9H1C0 | 2/20 | 0.30 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.30 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28608874 | 0.98 | USP2 (0.40) | USP2TSHRALDH1A1CNR1CNR2 | |
| SCHEMBL565662 | 0.83 | — | — | |
| SCHEMBL27615327 | 0.83 | TSHR (0.42) | USP2TSHRALDH1A1CNR1CNR2 | |
| Iodide SCHEMBL27860357 | 0.81 | TSHR (0.41) | USP2TSHRALDH1A1CNR1CNR2 | |
| Water SCHEMBL27649831 | 0.79 | THRB (0.32) | LMNA | |
| SCHEMBL6435202 | 0.77 | USP2 (0.50) | USP2ALDH1A1CNR1CNR2SPHK1 | |
| SCHEMBL18689891 | 0.76 | CNR2 (0.44) | USP2ALDH1A1CNR1CNR2LPAR6 | |
| SCHEMBL2728818 | 0.75 | USP2 (0.53) | USP2ALDH1A1CNR1CNR2SPHK1 | |
| SCHEMBL30477515 | 0.75 | USP2 (0.53) | USP2ALDH1A1CNR1CNR2SPHK1 | |
| SCHEMBL15935944 | 0.75 | USP2 (0.53) | USP2ALDH1A1CNR1CNR2SPHK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106909041-A | Electrophotography component and its manufacture method and electrophotographic image-forming apparatus | 佳能株式会社 | 2017-06-30 | — | — | CN | disclosed |
| CN-104247088-B | The purposes of resin, resin combination, nonaqueous electrolytic solution secondary battery distance piece and its manufacture method and nonaqueous electrolytic solution secondary battery | 住友化学株式会社 | 2017-03-08 | — | — | CN | disclosed |
| CN-106414693-A | Compositions and methods useful for removing tablet coatings | 艺康美国股份有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-104271664-B | Resin combination, nonaqueous electrolytic solution secondary battery distance piece and manufacture method thereof and nonaqueous electrolytic solution secondary battery | 住友化学株式会社 | 2016-09-21 | — | — | CN | disclosed |