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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 SCHEMBL1359257 | 1.00 | — | — | |
| Fluoride SCHEMBL27640108 | 0.94 | — | — | |
| Oxirane SCHEMBL3845526 | 0.94 | — | — | |
| SCHEMBL3133708 | 0.94 | TSHR (0.56) | TSHRTTRMEN1KMT2AALDH1A1 | |
| SCHEMBL5144293 | 0.94 | — | — | |
| SCHEMBL8123592 | 0.94 | TSHR (0.56) | TSHRTTRMEN1KMT2AALDH1A1 | |
| SCHEMBL23012 | 0.94 | — | — | |
| SCHEMBL9792991 | 0.94 | TSHR (0.56) | TSHRTTRMEN1KMT2AALDH1A1 | |
| SCHEMBL31186546 | 0.94 | — | — | |
| SCHEMBL23928248 | 0.89 | — | — |
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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115084480-B | Metal oxide-metal sulfide heterojunction material and preparation method and application thereof | 成都大学 | 2023-09-01 | — | — | CN | claimed |
| CN-115377605-B | Hollow metal oxide-metal phosphide heterojunction material and preparation method and application thereof | 成都大学 | 2023-07-21 | — | — | CN | claimed |
| EP-0620263-B1 | Smectic liquid crystal mixture | HOECHST AG (DE) | 1997-09-03 | — | — | EP | claimed |
| EP-0620262-B1 | Smectic liquid crystal mixture | HOECHST AG (DE) | 1997-07-30 | — | — | EP | claimed |
| CN-1093732-A | Mixture of liquid crystall | HOECHST AG (DE) | 1994-10-19 | — | — | CN | claimed |
| CN-1093733-A | Mixture of liquid crystall | HOECHST AG (DE) | 1994-10-19 | — | — | CN | claimed |
| CN-115084480-B | Metal oxide-metal sulfide heterojunction material and preparation method and application thereof | 成都大学 | 2023-09-01 | — | — | CN | disclosed |
| CN-108417893-B | Lithium-sulfur electrolyte with high cycling stability | 南京理工大学 | 2020-08-11 | — | — | CN | disclosed |
| CN-107342438-B | Lithium-sulfur battery electrolyte with high coulombic efficiency and preparation method thereof | 苏州大学 | 2020-05-22 | — | — | CN | disclosed |
| CN-103890029-A | Active-energy-ray-curable resin composition, adhesive, and laminate film | DAINIPPON INK & CHEMICALS | 2014-06-25 | — | — | CN | disclosed |
| US-8158020-B2 | Liquid crystal element, optical path deflecting element, and image displaying apparatus | RICOH COMPANY, LTD. (JP) | 2012-04-17 | — | — | US | disclosed |
| CN-102304208-A | Treating agent for decomposing unstable terminal group, stabilized polyacetal resin produced with the same, production process, composition, and molded object | POLYPLASTICS CO | 2012-01-04 | — | — | CN | disclosed |
| CN-101321844-A | Liquid crystal element, optical path deflecting element and image display device | RICOH KK (JP) | 2008-12-10 | — | — | CN | disclosed |
| US-5529718-A | Smectic liquid-crystal mixture | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-06-25 | — | — | US | disclosed |
| US-5512207-A | Azaaromatic compounds, process for their preparation, and their use in liquid-crystalline mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-04-30 | — | — | US | disclosed |
| US-5443752-A | HIGH CONTRAST AND LOW MELTING POINT | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-08-22 | — | — | US | disclosed |
| US-5441668-A | Smectic liquid-crystal mixture | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-08-15 | — | — | US | disclosed |
| US-5378394-A | Pyrimidine compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-01-03 | — | — | US | disclosed |
| CN-1093732-A | Mixture of liquid crystall | HOECHST AG (DE) | 1994-10-19 | — | — | CN | disclosed |
| CN-1093733-A | Mixture of liquid crystall | HOECHST AG (DE) | 1994-10-19 | — | — | CN | disclosed |