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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.33 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | APAF1 | O14727 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | NSD2 | O96028 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.30 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.30 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL5806301 | 0.96 | MMP1 (0.33) | MMP1MMP9MMP12GPR84CES2 | |
| Water SCHEMBL5807227 | 0.96 | MMP1 (0.33) | MMP1MMP9MMP12GPR84CES2 | |
| Water SCHEMBL5805851 | 0.96 | MMP1 (0.33) | MMP1MMP9MMP12GPR84CES2 | |
| Water SCHEMBL5804903 | 0.96 | MMP1 (0.33) | MMP1MMP9MMP12GPR84CES2 | |
| Water SCHEMBL5805848 | 0.96 | MMP1 (0.33) | MMP1MMP9MMP12GPR84CES2 | |
| Water SCHEMBL3254073 | 0.96 | MMP1 (0.33) | MMP1MMP9MMP12GPR84CES2 | |
| Water SCHEMBL5807484 | 0.94 | MMP1 (0.33) | MMP1MMP9MMP12GPR84 | |
| Water SCHEMBL5807485 | 0.94 | MMP1 (0.33) | MMP1MMP9MMP12GPR84 | |
| Water SCHEMBL5805513 | 0.94 | MMP1 (0.33) | MMP1MMP9MMP12GPR84 | |
| Water SCHEMBL5806169 | 0.94 | MMP1 (0.33) | MMP1MMP9MMP12GPR84 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001014257-A9 | MICROBIOLOGICAL WATER FILTER | WATERVISIONS INT INC (US) | 2006-07-13 | — | — | WO | disclosed |
| US-6957743-B2 | Fluid water is passed through a purification material composed of apatite and absorption media in a fixed binder matrix. | WATERVISIONS INTERNATIONAL, INC. (US) | 2005-10-25 | — | — | US | disclosed |
| US-20030015467-A1 | Microbiological water filter | JOHNSTON ARTHUR W (US) | 2003-01-23 | — | — | US | disclosed |
| EP-1214273-A1 | MICROBIOLOGICAL WATER FILTER | Watervisions International, Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001014257-A1 | MICROBIOLOGICAL WATER FILTER | WATERVISIONS INTERNATIONAL, INC. (US) | 2001-03-01 | — | — | WO | disclosed |
| US-6187192-B1 | WATER CONTAINING BACTERIA AND/OR VIRUSES IS PASSED THROUGH A PURIFICATION MATERIAL COMPOSED OF APATITE AND ABSORPTION MEDIA IN A FIXED BINDER MATRIX | WATERVISIONS INTERNATIONAL, INC. | 2001-02-13 | — | — | US | disclosed |
| US-6180016-B1 | MIXTURE OF APATITE IN BINDER | WATERVISIONS INTERNATIONAL, INC. | 2001-01-30 | — | — | US | disclosed |