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 | |
|---|---|---|---|---|
| ▸ | THRA known ✓ | P10827 | 1/20 | 0.51 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.51 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.44 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 3/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | BID | P55957 | 3/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.40 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.40 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.40 |
| ▸ | EP300 | Q09472 | 1/20 | 0.40 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.40 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.40 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.40 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
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 SCHEMBL27918100 | 0.99 | THRA (0.52) | THRATHRBLIPGALOX5PTGS2 | |
| Hydrogen Sulfide SCHEMBL9821128 | 0.97 | THRA (0.51) | THRATHRBLIPGALOX5PTGS2 | |
| SCHEMBL3929117 | 0.97 | THRA (0.53) | THRATHRBLIPGALOX5PTGS2 | |
| SCHEMBL1001010 | 0.97 | THRA (0.53) | THRATHRBLIPGALOX5PTGS2 | |
| SCHEMBL4980580 | 0.97 | THRA (0.53) | THRATHRBLIPGALOX5PTGS2 | |
| Hydrogen Sulfide SCHEMBL4610063 | 0.96 | THRA (0.52) | THRATHRBLIPGALOX5PTGS2 | |
| SCHEMBL10625276 | 0.96 | THRA (0.52) | THRATHRBLIPGALOX5PTGS2 | |
| SCHEMBL27275672 | 0.96 | THRA (0.52) | THRATHRBLIPGALOX5PTGS2 | |
| Water SCHEMBL27610759 | 0.94 | THRA (0.44) | THRATHRBLIPGALOX5PTGS2 | |
| SCHEMBL27734403 | 0.93 | THRA (0.53) | THRATHRBLIPGALOX5PTGS2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103620006-B | Lubricating oil composition | JX NIPPON OIL & ENERGY CORP. (JP) | 2015-12-02 | — | — | CN | disclosed |
| CN-103620006-A | Lubricating oil composition | JX NIPPON OIL & ENERGY CORP | 2014-03-05 | — | — | CN | disclosed |
| CN-100497560-C | Lubricating oil compositions | NIPPON OIL CORP (JP) | 2009-06-10 | — | — | CN | disclosed |
| CN-1671827-A | Lubricating oil compositions | NIPPON OIL CORP (JP) | 2005-09-21 | — | — | CN | disclosed |
| CN-1126810-C | Four-stroke engine oil compsns. for two-wheeled motorcycle | NIPPON MITSUBISHI OIL CORP (JP) | 2003-11-05 | — | — | CN | disclosed |
| CN-1247219-A | Four-stroke engine oil compsns. for two-wheeled motorcycle | NIPPON MITSUBISHI K K (JP) | 2000-03-15 | — | — | CN | disclosed |