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 | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.36 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.36 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4953488 | 0.98 | TSHR (0.52) | TSHRCAMK2ASLC22A6MGLLGPR84 | |
| Adipic Acid SCHEMBL28895995 | 0.96 | TSHR (0.50) | TSHRCAMK2ASLC22A6MGLLGPR84 | |
| Water SCHEMBL11810660 | 0.96 | GPR84 (0.50) | TSHRCAMK2ASLC22A6MGLLGPR84 | |
| Water SCHEMBL28518811 | 0.94 | GPR84 (0.54) | TSHRCAMK2ASLC22A6MGLLGPR84 | |
| SCHEMBL26442 | 0.93 | GPR84 (0.52) | TSHRCAMK2ASLC22A6MGLLGPR84 | |
| Glutarate SCHEMBL28431623 | 0.93 | SLC22A6 (0.50) | TSHRCAMK2ASLC22A6MGLLGPR84 | |
| Ammonia Solution, Strong SCHEMBL7134656 | 0.91 | GPR84 (0.50) | TSHRCAMK2ASLC22A6MGLLGPR84 | |
| SCHEMBL4159638 | 0.91 | GPR84 (0.56) | TSHRCAMK2ASLC22A6MGLLGPR84 | |
| SCHEMBL176409 | 0.91 | GPR84 (0.56) | TSHRCAMK2ASLC22A6MGLLGPR84 | |
| Ethylene Glycol SCHEMBL4909367 | 0.91 | GPR84 (0.50) | TSHRCAMK2ASLC22A6MGLLGPR84 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5795695-A | PHOTO-QUALITY RECORDING | XEROX CORPORATION (US) | 1998-08-18 | — | — | US | claimed |
| WO-2024091977-A1 | PROTECTION OF SENSITIVE SURFACES IN SEMICONDUCTOR PROCESSING | LAM RESEARCH CORPORATION (US) | 2024-05-02 | — | — | WO | disclosed |
| WO-2023049463-A1 | METHODS AND FORMULATIONS FOR SACRIFICIAL BRACING, SURFACE PROTECTION, AND QUEUE-TIME MANAGEMENT USING STIMULUS RESPONSIVE POLYMERS | LAM RESEARCH CORPORATION (US) | 2023-03-30 | — | — | WO | disclosed |
| US-6171702-B1 | Coated substrates | XEROX CORPORATION | 2001-01-09 | — | — | US | disclosed |
| US-5795695-A | PHOTO-QUALITY RECORDING | XEROX CORPORATION (US) | 1998-08-18 | — | — | US | disclosed |