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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.31 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.31 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SLC13A5 | Q86YT5 | 5/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 SCHEMBL1684069 | 0.98 | ALDH1A1 (0.58) | ALDH1A1KDM4ELMNATSHRMAPT | |
| Water SCHEMBL25390469 | 0.98 | ALDH1A1 (0.58) | ALDH1A1KDM4ELMNATSHRMAPT | |
| SCHEMBL28065364 | 0.98 | ALDH1A1 (0.58) | ALDH1A1KDM4ELMNATSHRMAPT | |
| SCHEMBL8842951 | 0.98 | ALDH1A1 (0.58) | ALDH1A1KDM4ELMNATSHRMAPT | |
| Water SCHEMBL2345209 | 0.96 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNATSHRMAPT | |
| Water SCHEMBL19925293 | 0.96 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNATSHRMAPT | |
| Water SCHEMBL6861649 | 0.96 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNATSHRMAPT | |
| Water SCHEMBL953536 | 0.96 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNATSHRMAPT | |
| Water SCHEMBL8401316 | 0.96 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNATSHRMAPT | |
| Water SCHEMBL29280332 | 0.96 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNATSHRMAPT |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108853139-A | The medical composition and its use of various trace elements VII | 刘力 | 2018-11-23 | — | — | CN | claimed |
| CN-108653259-A | The medical composition and its use of various trace elements IV | 刘力 | 2018-10-16 | — | — | CN | claimed |
| CN-107854485-A | The medical composition and its use of the various trace elements of injection | 刘力 | 2018-03-30 | — | — | CN | claimed |
| CN-107789365-A | The medical composition and its use of various trace elements V | 刘力 | 2018-03-13 | — | — | CN | claimed |
| CN-107773571-A | The medical composition and its use of various trace elements IV | 胡梨芳 | 2018-03-09 | — | — | CN | claimed |
| CN-107693539-A | The medical composition and its use of various trace elements | 刘力 | 2018-02-16 | — | — | CN | claimed |
| CN-108853139-A | The medical composition and its use of various trace elements VII | 刘力 | 2018-11-23 | — | — | CN | disclosed |
| CN-108653259-A | The medical composition and its use of various trace elements IV | 刘力 | 2018-10-16 | — | — | CN | disclosed |
| CN-107854485-A | The medical composition and its use of the various trace elements of injection | 刘力 | 2018-03-30 | — | — | CN | disclosed |
| CN-107854486-A | The medical composition and its use of the various trace elements of injection | 刘力 | 2018-03-30 | — | — | CN | disclosed |
| CN-107789365-A | The medical composition and its use of various trace elements V | 刘力 | 2018-03-13 | — | — | CN | disclosed |
| CN-107773571-A | The medical composition and its use of various trace elements IV | 胡梨芳 | 2018-03-09 | — | — | CN | disclosed |
| CN-107693539-A | The medical composition and its use of various trace elements | 刘力 | 2018-02-16 | — | — | CN | disclosed |