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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.57 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.57 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.57 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.57 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.57 |
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.54 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.51 |
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.51 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.51 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.51 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.51 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.51 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.51 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.51 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.51 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.51 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.51 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.51 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.51 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.51 |
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 SCHEMBL31607501 | 1.00 | KDM6B (0.58) | KDM6BALOX15HIF1AHSD17B10KDM4E | |
| Water SCHEMBL29360651 | 1.00 | KDM6B (0.58) | KDM6BALOX15HIF1AHSD17B10KDM4E | |
| Water SCHEMBL17747948 | 1.00 | KDM6B (0.58) | KDM6BALOX15HIF1AHSD17B10KDM4E | |
| Water SCHEMBL31413328 | 1.00 | KDM6B (0.58) | KDM6BALOX15HIF1AHSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL6825737 | 0.98 | KDM6B (0.57) | KDM6BALOX15HIF1AHSD17B10KDM4E | |
| SCHEMBL8470026 | 0.98 | KDM6B (0.60) | KDM6BALOX15HIF1AHSD17B10KDM4E | |
| SCHEMBL2283369 | 0.98 | KDM6B (0.60) | KDM6BALOX15HIF1AHSD17B10KDM4E | |
| SCHEMBL34002 | 0.98 | KDM6B (0.60) | KDM6BALOX15HIF1AHSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL29670211 | 0.97 | KDM6B (0.58) | KDM6BALOX15HIF1AHSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL523205 | 0.97 | KDM6B (0.58) | KDM6BALOX15HIF1AHSD17B10KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025034993-A1 | MOVEMENT-RESPONSIVE ADAPTIVE DEEP BRAIN STIMULATION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2025-02-13 | — | — | WO | disclosed |