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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.54 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.51 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.51 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.51 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | P4HB | P07237 | 1/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL38165 | 1.00 | — | — | |
| SCHEMBL29444147 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL29779892 | 0.98 | ENPP2 (0.52) | ENPP2GABRG2GABRB3GABRA5GABRA3 | |
| Hydrochloric Acid SCHEMBL31187288 | 0.98 | ENPP2 (0.52) | ENPP2GABRG2GABRB3GABRA5GABRA3 | |
| Formaldehyde SCHEMBL28227125 | 0.93 | ENPP2 (0.48) | ENPP2GABRG2GABRB3GABRA5GABRA3 | |
| Boric Acid SCHEMBL29231593 | 0.91 | ENPP2 (0.62) | ENPP2GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL6776882 | 0.91 | ENPP2 (0.52) | ENPP2GABRG2GABRB3GABRA5GABRA3 | |
| Ammonia Solution, Strong SCHEMBL3938787 | 0.89 | ENPP2 (0.46) | ENPP2GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28444992 | 0.89 | GABRG2 (0.49) | ENPP2GABRG2GABRB3GABRA5GABRA3 | |
| Bicarbonate SCHEMBL28730360 | 0.88 | ENPP2 (0.48) | ENPP2GABRG2GABRB3GABRA5GABRA3 |
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-105375065-A | Electrolyte and lithium ion battery containing same | NINGDE AMPEREX TECHNOLOGY LTD | 2016-03-02 | — | — | CN | disclosed |
| CN-105261789-A | Electrolyte and lithium ion battery including same | NINGDE AMPEREX TECHNOLOGY LTD | 2016-01-20 | — | — | CN | disclosed |