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 SCHEMBL6896532 | 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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210137820-A1 | COMPOSITION FOR CARING FOR AND/OR MAKING UP KERATIN MATERIALS | L'OREAL (FR) | 2021-05-13 | — | — | US | disclosed |
| EP-3731809-A1 | COMPOSITION FOR CARING FOR AND/OR MAKING UP KERATIN MATERIALS | L'Oreal (FR) | 2020-11-04 | — | — | EP | disclosed |
| CN-106794118-A | Transparent composition | 荷兰联合利华有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-106687105-A | Transparent cosmetic and personal care compositions | 荷兰联合利华有限公司 | 2017-05-17 | — | — | CN | disclosed |
| US-8835555-B2 | Method for producing emulsion | DOW CORNING TORAY CO. LTD. (JP) | 2014-09-16 | — | — | US | disclosed |
| US-20120035275-A1 | Emulsion, Method For Producing The Same, And Cosmetic Raw Material Formed From The Same | DOW CORNING TORAY CO., LTD. (JP) | 2012-02-09 | — | — | US | disclosed |
| US-20110257274-A1 | Method For Producing Emulsion | DOW CORNING TORAY CO. LTD. (JP) | 2011-10-20 | — | — | US | disclosed |
| EP-2367524-A1 | METHOD FOR PRODUCING EMULSION | Dow Corning Toray Co., Ltd. (JP) | 2011-09-28 | — | — | EP | disclosed |
| EP-2361274-A1 | EMULSION, METHOD FOR PRODUCING THE SAME, AND COSMETIC RAW MATERIAL FORMED FROM THE SAME | Dow Corning Toray Co., Ltd. (JP) | 2011-08-31 | — | — | EP | disclosed |
| WO-2010074297-A1 | EMULSION, METHOD FOR PRODUCING THE SAME, AND COSMETIC RAW MATERIAL FORMED FROM THE SAME | DOW CORNING TORAY CO., LTD. (JP) | 2010-07-01 | — | — | WO | disclosed |
| WO-2010074295-A1 | METHOD FOR PRODUCING EMULSION | DOW CORNING TORAY CO., LTD. (JP) | 2010-07-01 | — | — | WO | disclosed |
| 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 |
| 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-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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120035275-A1 | Emulsion, Method For Producing The Same, And Cosmetic Raw Material Formed From The Same | LIPA, MGLL, SGMS2 | SIGMAR1 788/4885EGFR 1062/4885HDAC3 2994/4885 |
| US-20210137820-A1 | COMPOSITION FOR CARING FOR AND/OR MAKING UP KERATIN MATERIALS | KRT18, MUC1, F12 | SIGMAR1 2328/4885EGFR 2255/4885HDAC3 2613/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.