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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.35 |
| ▸ | OPRD1 known ✓ | P41143 | 2/20 | 0.35 |
| ▸ | MME | P08473 | 4/20 | 0.43 |
| ▸ | ECE1 | P42892 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.35 |
| ▸ | PDCD1LG2 | Q9BQ51 | 2/20 | 0.35 |
| ▸ | CTSC | P53634 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.32 |
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8527609 | 0.99 | MME (0.43) | MMEECE1CD274PDCD1LG2OPRM1 | |
| SCHEMBL8527615 | 0.99 | MME (0.43) | MMEECE1CD274PDCD1LG2OPRM1 | |
| SCHEMBL29961849 | 0.99 | MME (0.43) | MMEECE1CD274PDCD1LG2OPRM1 | |
| SCHEMBL31453800 | 0.93 | OPRM1 (0.40) | MMEECE1CD274PDCD1LG2OPRM1 | |
| Water SCHEMBL29655489 | 0.91 | MME (0.36) | MMEECE1CTSC | |
| SCHEMBL30974040 | 0.91 | OPRM1 (0.42) | MMEECE1CD274PDCD1LG2OPRM1 | |
| SCHEMBL30254475 | 0.91 | OPRM1 (0.39) | MMEECE1CD274PDCD1LG2OPRM1 | |
| SCHEMBL30997434 | 0.90 | MME (0.38) | MMECD274PDCD1LG2OPRM1OPRD1 | |
| SCHEMBL8437180 | 0.90 | MME (0.37) | MMEECE1CA2CA1 | |
| SCHEMBL8437182 | 0.90 | MME (0.37) | MMEECE1CA2CA1 |
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-114621319-A | Probiotic active peptide, active peptide composition and application thereof in preparation of products with anti-inflammatory and/or antioxidant effects | 深圳科兴药业有限公司 | 2022-06-14 | — | — | CN | disclosed |