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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 14/20 | 0.65 |
| ▸ | NR1H3 | Q13133 | 14/20 | 0.65 |
| ▸ | MLYCD | O95822 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL131990 | 0.97 | NR1H2 (0.68) | NR1H2NR1H3MLYCDSMN1; SMN2 | |
| SCHEMBL9621271 | 0.88 | NR1H2 (0.60) | NR1H2NR1H3MLYCDSMN1; SMN2 | |
| SCHEMBL24901413 | 0.88 | NR1H2 (0.61) | NR1H2NR1H3MLYCDSMN1; SMN2AR | |
| Water SCHEMBL29107396 | 0.86 | NR1H3 (0.61) | NR1H2NR1H3 | |
| SCHEMBL6808538 | 0.86 | ESR1 (0.61) | NR1H2NR1H3MLYCDSMN1; SMN2 | |
| SCHEMBL1516045 | 0.86 | ESR1 (0.61) | NR1H2NR1H3MLYCDSMN1; SMN2 | |
| SCHEMBL8021367 | 0.86 | NR1H2 (0.58) | NR1H2NR1H3MLYCDSMN1; SMN2 | |
| SCHEMBL128375 | 0.84 | NR1H2 (0.50) | NR1H2NR1H3MLYCDSMN1; SMN2AR | |
| SCHEMBL128398 | 0.84 | NR1H2 (0.56) | NR1H2NR1H3MLYCDSMN1; SMN2 | |
| SCHEMBL13154248 | 0.84 | NR1H2 (0.56) | NR1H2NR1H3MLYCDSMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116991036-A | Fluorine-silicon modified polyurethane photoresist and preparation method thereof | 常州大学 | 2023-11-03 | — | — | CN | claimed |
| CN-116991036-A | Fluorine-silicon modified polyurethane photoresist and preparation method thereof | 常州大学 | 2023-11-03 | — | — | CN | disclosed |
| US-20110098419-A1 | FUNCTIONAL FILLER AND RESIN COMPOSITION CONTAINING SAME | SATOH MASAHIRO | 2011-04-28 | — | — | US | disclosed |
| US-7902304-B2 | Functional filler and resin composition containing same | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 2011-03-08 | — | — | US | disclosed |
| US-7629400-B2 | Image making medium | HYMAN SYDNEY | 2009-12-08 | — | — | US | disclosed |
| US-20090270555-A1 | Functional Filler and Resin Composition Containing Same | KRI, INC. (JP) | 2009-10-29 | — | — | US | disclosed |
| US-20030035917-A1 | Image making medium | HYMAN SYDNEY (US) | 2003-02-20 | — | — | US | disclosed |