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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 known ✓ | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 known ✓ | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | DGKA | P23743 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CPT2 | P23786 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PAM | P19021 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1880277 | 0.98 | EPHX2 (0.43) | EPHX2HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL25557803 | 0.98 | EPHX2 (0.43) | EPHX2HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL28710679 | 0.98 | EPHX2 (0.43) | EPHX2HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL16863814 | 0.98 | EPHX2 (0.43) | EPHX2HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL3689198 | 0.98 | EPHX2 (0.43) | EPHX2HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL10250201 | 0.98 | EPHX2 (0.43) | EPHX2HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL22869218 | 0.96 | EPHX2 (0.41) | EPHX2HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL28274472 | 0.90 | EPHX2 (0.38) | EPHX2HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL12775715 | 0.90 | EPHX2 (0.39) | EPHX2HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL27531834 | 0.89 | EPHX2 (0.39) | EPHX2HDAC1HDAC2HDAC6HDAC8 |
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-110240785-A | For laser sintered powder | 施乐公司 | 2019-09-17 | — | — | CN | disclosed |
| CN-110105480-A | Polymerization of itaconic acid object | 路博润先进材料公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-110072697-A | Layered product and electronic assembly manufacturing method | 陶氏东丽株式会社 | 2019-07-30 | — | — | CN | disclosed |
| CN-103665727-B | Polypropylene-based resin composition and the mechanograph being made from it | 住友化学株式会社 | 2018-04-03 | — | — | CN | disclosed |
| CN-105348615-B | Low density polyethylene (LDPE) with low dissipation factor and preparation method thereof | 陶氏环球技术有限责任公司 | 2018-02-06 | — | — | CN | disclosed |
| CN-107011514-A | Light and heat hardening resin composition | 味之素株式会社 | 2017-08-04 | — | — | CN | disclosed |
| CN-104508516-B | (meth) acrylate compound, optical composition, molded article, and optical element | CANON KABUSHIKI KAISHA (JP) | 2016-06-01 | — | — | CN | disclosed |