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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.47 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.39 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.38 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 5/20 | 0.95 |
| ▸ | CCR8 | P51685 | 5/20 | 0.95 |
| ▸ | CCR5 | P51681 | 4/20 | 0.95 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.67 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.57 |
| ▸ | COPS5 | Q92905 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 3/20 | 0.41 |
| ▸ | NOS2 | P35228 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL182930 | 0.97 | CCR1 (1.00) | CCR1CCR8CCR5L3MBTL1PSMD14 | |
| SCHEMBL29563986 | 0.97 | CCR1 (1.00) | CCR1CCR8CCR5L3MBTL1PSMD14 | |
| SCHEMBL31493927 | 0.95 | CCR1 (0.95) | CCR1CCR8CCR5L3MBTL1PSMD14 | |
| SCHEMBL28568141 | 0.95 | CCR1 (0.95) | CCR1CCR8CCR5L3MBTL1PSMD14 | |
| SCHEMBL29092922 | 0.95 | CCR1 (0.95) | CCR1CCR8CCR5L3MBTL1PSMD14 | |
| SCHEMBL23777914 | 0.95 | CCR1 (0.95) | CCR1CCR8CCR5L3MBTL1PSMD14 | |
| SCHEMBL6744043 | 0.95 | CCR1 (0.95) | CCR1CCR8CCR5L3MBTL1PSMD14 | |
| SCHEMBL4890980 | 0.95 | CCR1 (0.95) | CCR1CCR8CCR5L3MBTL1PSMD14 | |
| SCHEMBL30753482 | 0.95 | CCR1 (0.95) | CCR1CCR8CCR5L3MBTL1PSMD14 | |
| SCHEMBL30603076 | 0.95 | CCR1 (0.95) | CCR1CCR8CCR5L3MBTL1PSMD14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230050869-A1 | THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH | TOYO INK SC HOLDINGS CO., LTD. (JP) | 2023-02-16 | — | — | US | disclosed |
| EP-3902021-A1 | THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH | Toyo Ink SC Holdings Co., Ltd. (JP) | 2021-10-27 | — | — | EP | disclosed |
| CN-113228318-A | Thermoelectric conversion material and thermoelectric conversion element using same | 东洋油墨SC控股株式会社 | 2021-08-06 | — | — | CN | disclosed |