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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR known ✓ | P00374 | 1/20 | 0.50 |
| ▸ | GRIK1 known ✓ | P39086 | 1/20 | 0.49 |
| ▸ | GRIK2 known ✓ | Q13002 | 1/20 | 0.49 |
| ▸ | GRIK3 known ✓ | Q13003 | 1/20 | 0.49 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.52 |
| ▸ | BAD | Q92934 | 1/20 | 0.52 |
| ▸ | RXRA | P19793 | 3/20 | 0.52 |
| ▸ | RXRB | P28702 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HNF4A | P41235 | 2/20 | 0.50 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.50 |
| ▸ | CDC25B | P30305 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | CDC25A | P30304 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29368917 | 0.98 | BCL2L1 (0.54) | BCL2L1BADRXRARXRBKDM4E | |
| SCHEMBL6866233 | 0.98 | BCL2L1 (0.54) | BCL2L1BADRXRARXRBKDM4E | |
| SCHEMBL16166057 | 0.90 | ACMSD (0.61) | RXRARXRBHSD17B10HNF4AACMSD | |
| SCHEMBL28222622 | 0.89 | KDM4E (0.60) | KDM4EHSD17B10HNF4AACMSDCDC25B | |
| Water SCHEMBL4330613 | 0.89 | KMT2A (0.60) | KDM4EHSD17B10HNF4AACMSDCDC25B | |
| SCHEMBL29436303 | 0.89 | KMT2A (0.60) | KDM4EHSD17B10HNF4AACMSDCDC25B | |
| SCHEMBL710222 | 0.89 | KMT2A (0.60) | KDM4EHSD17B10HNF4AACMSDCDC25B | |
| SCHEMBL9550353 | 0.89 | KMT2A (0.60) | KDM4EHSD17B10HNF4AACMSDCDC25B | |
| SCHEMBL9550390 | 0.88 | POLB (0.63) | KDM4EHSD17B10LMNAHNF4AACMSD | |
| SCHEMBL30690398 | 0.87 | KMT2A (0.62) | KDM4EHSD17B10HNF4AACMSDCDC25B |
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-110799559-B | Resin, resin composition, nonwoven fabric, fiber product, separator, secondary battery, electric double layer capacitor, and method for producing nonwoven fabric | 东丽株式会社 | 2022-04-29 | — | — | CN | disclosed |
| EP-3650481-A1 | RESIN, RESIN COMPOSITION, NONWOVEN FABRIC USING SAME, FIBER PRODUCT, SEPARATOR, SECONDARY BATTERY, AND METHOD FOR PRODUCING ELECTRIC DOUBLE LAYER CAPACITOR AND NONWOVEN FABRIC | Toray Industries, Inc. (JP) | 2020-05-13 | — | — | EP | disclosed |
| US-20200131366-A1 | RESIN, RESIN COMPOSITION, NONWOVEN FABRIC USING SAME, FIBER PRODUCT, SEPARATOR, SECONDARY BATTERY AND ELECTRIC DOUBLE LAYER CAPACITOR, AND METHOD FOR PRODUCING NONWOVEN FABRIC | TORAY INDUSTRIES, INC. (JP) | 2020-04-30 | — | — | US | disclosed |
| CN-110799559-A | Resin, resin composition, nonwoven fabric, fiber product, separator, secondary battery, electric double layer capacitor, and method for producing nonwoven fabric | 东丽株式会社 | 2020-02-14 | — | — | CN | disclosed |