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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.40 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.38 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.56 |
| ▸ | F7 | P08709 | 1/20 | 0.52 |
| ▸ | F3 | P13726 | 1/20 | 0.52 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.52 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.52 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.52 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.52 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.52 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | NNMT | P40261 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 6/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL503242 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL25242562 | 0.95 | HCAR2 (0.56) | HCAR2F7F3SARM1SIRT2 | |
| SCHEMBL27541990 | 0.95 | — | — | |
| SCHEMBL28147137 | 0.95 | HCAR2 (0.56) | HCAR2F7F3SARM1SIRT2 | |
| Hydrochloric Acid SCHEMBL12971394 | 0.95 | HCAR2 (0.56) | HCAR2F7F3SARM1SIRT2 | |
| SCHEMBL27941587 | 0.95 | HCAR2 (0.56) | HCAR2F7F3SARM1SIRT2 | |
| Hydrochloric Acid SCHEMBL28749975 | 0.92 | HCAR2 (0.54) | HCAR2F7F3SARM1SIRT2 | |
| Sulfuric Acid SCHEMBL27952916 | 0.88 | HCAR2 (0.50) | HCAR2F7F3SARM1SIRT2 | |
| Formic Acid SCHEMBL25244373 | 0.88 | HCAR2 (0.50) | HCAR2F7F3SARM1SIRT2 | |
| SCHEMBL27941661 | 0.84 | HCAR2 (0.46) | HCAR2F7F3SARM1SIRT2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1370144-A | Aromatic sulfone hydroxamic acid metalloprotease inhibitor | SEARLE & CO (US) | 2002-09-18 | — | — | CN | disclosed |