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 | |
|---|---|---|---|---|
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.46 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.58 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.58 |
| ▸ | PI4KA | P42356 | 2/20 | 0.46 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.46 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.46 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 9/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 9/20 | 0.45 |
| ▸ | CDK2 | P24941 | 9/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 8/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 8/20 | 0.45 |
| ▸ | POLA1 | P09884 | 1/20 | 0.45 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.42 |
| ▸ | PNP | P00491 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29592683 | 0.98 | PDPK1 (0.59) | PDPK1GDAPI4KAPI4K2BPI4K2A | |
| SCHEMBL1924592 | 0.98 | PDPK1 (0.59) | PDPK1GDAPI4KAPI4K2BPI4K2A | |
| SCHEMBL29514836 | 0.85 | PDPK1 (0.56) | PDPK1GDAPI4KAPI4K2BPI4K2A | |
| SCHEMBL215054 | 0.85 | PDPK1 (0.56) | PDPK1GDAPI4KAPI4K2BPI4K2A | |
| SCHEMBL11222102 | 0.84 | PDPK1 (0.63) | PDPK1GDAPI4KAPI4K2BPI4K2A | |
| Barbital SCHEMBL2130352 | 0.83 | PDPK1 (0.44) | PDPK1GDAPI4KAPI4K2BPI4K2A | |
| SCHEMBL17060283 | 0.82 | PDPK1 (0.61) | PDPK1GDAPI4KAPI4K2BPI4K2A | |
| SCHEMBL1074970 | 0.82 | POLA1 (0.57) | PDPK1GDAPI4KAPI4K2BPI4K2A | |
| SCHEMBL28299226 | 0.81 | POLA1 (0.53) | PDPK1GDAPI4KAPI4K2BPI4K2A | |
| SCHEMBL9176120 | 0.81 | PDPK1 (0.59) | PDPK1GDAPI4KAPI4K2BPI4K2A |
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-101874208-B | Microsheet and blood observation device | 藤森工业株式会社 | 2016-09-07 | — | — | CN | disclosed |