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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.43 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.39 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 3/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.38 |
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 SCHEMBL569222 | 1.00 | NAAA (0.44) | NAAASIGMAR1EPHX1ALDH1A1HTT | |
| Water SCHEMBL7079608 | 1.00 | NAAA (0.44) | NAAASIGMAR1EPHX1ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL8922354 | 0.98 | NAAA (0.42) | NAAASIGMAR1EPHX1ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL5797433 | 0.98 | NAAA (0.42) | NAAASIGMAR1EPHX1ALDH1A1HTT | |
| SCHEMBL525869 | 0.98 | NAAA (0.45) | NAAASIGMAR1EPHX1ALDH1A1HTT | |
| SCHEMBL483594 | 0.98 | NAAA (0.45) | NAAASIGMAR1EPHX1ALDH1A1HTT | |
| SCHEMBL8913044 | 0.98 | NAAA (0.45) | NAAASIGMAR1EPHX1ALDH1A1HTT | |
| SCHEMBL3170588 | 0.98 | NAAA (0.45) | NAAASIGMAR1EPHX1ALDH1A1HTT | |
| SCHEMBL27724922 | 0.98 | NAAA (0.45) | NAAASIGMAR1EPHX1ALDH1A1HTT | |
| Bromide SCHEMBL961320 | 0.96 | NAAA (0.44) | NAAASIGMAR1EPHX1ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0963751-B1 | Cosmetic raw material, cosmetic product, and method for manufacturing cosmetic raw material | DOW CORNING TORAY SILICONE (JP) | 2004-09-01 | — | — | EP | disclosed |
| EP-1130046-B1 | Method for producing suspension of crosslinked silicone particles | DOW CORNING TORAY SILICONE (JP) | 2003-07-30 | — | — | EP | disclosed |
| US-6437042-B2 | COMPRISES POLYSILOXANE, CROSSLINKER, AND CONDENSATION CATALYST EMULSIFIED IN WATER USING SURFACTANT; METALLIZATION; PARTICLE DIAMETER; DISPERSION | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 2002-08-20 | — | — | US | disclosed |
| US-6398865-B1 | HYDRAULIC CEMENT; CROSSLINKED POLYSILOXANE PARTICLES IN SILICONE OIL EMULSION; SUPERIOR FLUIDITY AND WATER REPELLENCY; RESISTANCE TO CRACKING UPON HARDENING | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 2002-06-04 | — | — | US | disclosed |
| US-20010027233-A1 | Method for producing suspension of crosslinked silicone particles | DOW TORAY CO., LTD. (JP) | 2001-10-04 | — | — | US | disclosed |
| EP-1130046-A2 | Method for producing suspension of crosslinked silicone particles | Dow Corning Toray Silicone Co., Ltd. (JP) | 2001-09-05 | — | — | EP | disclosed |
| US-6280748-B1 | TREATING SKIN OR HAIR BY APPLYING TO SKIN OR HAIR COSMETIC PRODUCT COMPRISING SOLUTION OR DISPERSION OF POLYMER IN LIQUID SELECTED FROM SILICONE OILS, ORGANIC OILS, ALCOHOLS AND WATER, POLYMER HAVING CARBOSILOXANE DENDRIMER IN ITS SIDE CHAIN | DOW CORNING TORAY SILICONE, LTD. (JP) | 2001-08-28 | — | — | US | disclosed |
| EP-1086935-A2 | Cement composition comprising silicone oil emulsion | Dow Corning Toray Silicone Co., Ltd. (JP) | 2001-03-28 | — | — | EP | disclosed |
| EP-1086933-A2 | Cement composition | Dow Corning Toray Silicone Co., Ltd. (JP) | 2001-03-28 | — | — | EP | disclosed |
| EP-0963751-A2 | Cosmetic raw material, cosmetic product, and method for manufacturing cosmetic raw material | Dow Corning Toray Silicone Company, Ltd. (JP) | 1999-12-15 | — | — | EP | disclosed |