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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.50 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.50 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.50 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.50 |
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.42 |
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL665598 | 0.98 | HSD17B10 (0.61) | HSD17B10ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL28055423 | 0.98 | HSD17B10 (0.61) | HSD17B10ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL339112 | 0.87 | HSD17B10 (0.65) | HSD17B10ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL21177792 | 0.85 | HSD17B10 (0.52) | HSD17B10ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL464507 | 0.84 | AHR (0.64) | HSD17B10ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL29624840 | 0.84 | AHR (0.64) | HSD17B10ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL13907547 | 0.83 | TSHR (0.50) | HSD17B10ALDH1A1TSHRCYP3A4TDP1 | |
| Ether SCHEMBL2015800 | 0.82 | TSHR (0.45) | HSD17B10ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL16720300 | 0.82 | HSD17B10 (0.45) | HSD17B10ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL11090674 | 0.79 | HSD17B10 (0.56) | HSD17B10ALDH1A1TSHRCYP3A4TDP1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5441742-A | Cellular cellulosic material containing a biocide agent and process for preparing same | FINANCIERE ELYSEES BALZAC (FR) | 1995-08-15 | — | — | US | claimed |
| EP-0617074-A1 | Alveolar cellulose material containing a biocide | FINANCIERE ELYSEES BALZAC (FR) | 1994-09-28 | — | — | EP | claimed |
| EP-0833573-B1 | ACTIVE PRINCIPLE CARRIERS CONTAINING NON-IONIC SURFACTANTS, AND USES THEREOF, PARTICULARLY IN FOOD, COSMETICS AND PHARMACEUTICALS | CAPSULIS (FR) | 2002-03-13 | — | — | EP | disclosed |
| US-5908697-A | Active principle carriers containing non-ionic surfactants, and uses thereof, particularly in food, cosmetics and pharmaceuticals | CAPSULIS (FR) | 1999-06-01 | — | — | US | disclosed |
| EP-0833573-A1 | ACTIVE PRINCIPLE CARRIERS CONTAINING NON-IONIC SURFACTANTS, AND USES THEREOF, PARTICULARLY IN FOOD, COSMETICS AND PHARMACEUTICALS | CAPSULIS (FR) | 1998-04-08 | — | — | EP | disclosed |
| WO-1997000623-A1 | ACTIVE PRINCIPLE CARRIERS CONTAINING NON-IONIC SURFACTANTS, AND USES THEREOF, PARTICULARLY IN FOOD, COSMETICS AND PHARMACEUTICALS | CAPSULIS (FR) | 1997-01-09 | — | — | WO | disclosed |
| US-5441742-A | Cellular cellulosic material containing a biocide agent and process for preparing same | FINANCIERE ELYSEES BALZAC (FR) | 1995-08-15 | — | — | US | disclosed |
| EP-0617074-A1 | Alveolar cellulose material containing a biocide | FINANCIERE ELYSEES BALZAC (FR) | 1994-09-28 | — | — | EP | disclosed |
| EP-0425373-B1 | PHARMACEUTICAL AND COSMETIC COMPOSITION CONTAINING CROSS-LINKED POLY-BETA-ALAMINE SPHERES IMPREGNATED BY LIPOPHILIC SUBSTANCES | L'OREAL (FR) | 1993-02-03 | — | — | EP | disclosed |
| EP-0425373-A1 | Pharmaceutical and cosmetic composition containing cross-linked poly-beta-alamine spheres impregnated by lipophilic substances | L'OREAL (FR) | 1991-05-02 | — | — | EP | disclosed |