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 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.36 |
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 6/20 | 0.53 |
| ▸ | EGLN1 | Q9GZT9 | 5/20 | 0.53 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.53 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.53 |
| ▸ | KDM5C | P41229 | 4/20 | 0.48 |
| ▸ | PHF8 | Q9UPP1 | 4/20 | 0.48 |
| ▸ | KDM2A | Q9Y2K7 | 4/20 | 0.48 |
| ▸ | KDM6B | O15054 | 3/20 | 0.48 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.41 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| Succinic Acid SCHEMBL8014089 | 0.97 | LMNA (0.50) | LMNAEGLN1ALKBH5SUCNR1KDM5C | |
| SCHEMBL38892 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL504444 | 0.95 | LMNA (0.47) | LMNAEGLN1ALKBH5SUCNR1KDM5C | |
| Ammonia Solution, Strong SCHEMBL9055436 | 0.94 | LMNA (0.53) | LMNAEGLN1ALKBH5SUCNR1KDM5C | |
| Urea SCHEMBL27580693 | 0.89 | LMNA (0.47) | LMNAEGLN1ALKBH5SUCNR1KDM5C | |
| Fumaric Acid SCHEMBL4822086 | 0.85 | EGLN1 (0.43) | LMNAEGLN1ALKBH5SUCNR1KDM5C | |
| Maleic Acid SCHEMBL4822076 | 0.85 | EGLN1 (0.43) | LMNAEGLN1ALKBH5SUCNR1KDM5C | |
| SCHEMBL38893 | 0.84 | TSHR (0.47) | LMNAEGLN1ALKBH5SUCNR1KDM5C | |
| SCHEMBL27469453 | 0.81 | TSHR (0.44) | LMNAEGLN1KDM5CPHF8KDM2A | |
| SCHEMBL1668338 | 0.80 | LMNA (0.61) | LMNAOR51E2SLC22A6TSHRNFKB1 |
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-2023195790-A1 | METHOD FOR MANUFACTURING BIOMATERIAL FOR TISSUE REPAIR WITH EXCELLENT SAFETY | ㈜아크로스 | 2023-10-12 | — | — | WO | claimed |