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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR6 | P43657 | 3/20 | 0.30 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.30 |
| ▸ | LPAR4 | Q99677 | 3/20 | 0.30 |
| ▸ | LPAR5 | Q9H1C0 | 3/20 | 0.30 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.30 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4066409 | 0.76 | — | — | |
| SCHEMBL1403809 | 0.74 | LMNA (0.48) | LPAR6LPAR1LPAR4LPAR5LPAR2 | |
| SCHEMBL3744531 | 0.71 | PGD (0.46) | LPAR5 | |
| Water SCHEMBL7160931 | 0.70 | PGD (0.31) | — | |
| SCHEMBL2126515 | 0.70 | LMNA (0.38) | LPAR6LPAR1LPAR4LPAR5LPAR2 | |
| SCHEMBL7163889 | 0.68 | PGD (0.32) | — | |
| SCHEMBL10017365 | 0.65 | LPAR3 (0.41) | LPAR6LPAR1LPAR4LPAR5LPAR2 | |
| SCHEMBL3822463 | 0.63 | — | — | |
| SCHEMBL4066412 | 0.63 | MPI (0.41) | LPAR6LPAR1LPAR4LPAR5LPAR2 | |
| SCHEMBL6900412 | 0.62 | LMNA (0.40) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0795128-B1 | PHOSPHATASE ACTIVATED CROSSLINKING, CONJUGATING AND REDUCING AGENTS; METHODS OF USING SUCH AGENTS; AND REAGENTS COMPRISING PHOSPHATASE ACTIVATED CROSSLINKING AND CONJUGATING AGENTS | ABBOTT LAB (US) | 2003-04-23 | — | — | EP | disclosed |
| US-6160153-A | Phosphatase activated crosslinking conjugating and reducing agents; methods of using such agents; and reagents comprising phosphatase activated crosslinking and conjugating | ABBOTT LABORATORIES (US) | 2000-12-12 | — | — | US | disclosed |
| US-6057429-A | STRAIGHT OR BRANCHED MONOMER, POLYMER OR OLIGOMER HAVING AVERAGE MOLECULAR WEIGHT FROM 200 TO 1,000,000 AND AT LEAST ONE PHOSPHOROTHIOATE MONOESTER GROUP AND ANOTHER REACTIVE FUNCTIONALITY | ABBOTT LABORATORIES (US) | 2000-05-02 | — | — | US | disclosed |
| US-5789219-A | CROSSLINKING, CONJUGATING AND REDUCING AGENTS HAVING AT LEAST ONE PHOSPHOROTHIOATE GROUP FORMING HEAT-RESISTANT, STABILIZED BIOCONJUGATES; IMMUNOASSAYS; ACTIVATION BY A PHOSPHATASE | ABBOTT LABORATORIES (US) | 1998-08-04 | — | — | US | disclosed |
| US-5736624-A | CONJUGATE COMPRISING BINDING MEMBER AND DETECTABLE INTRAMOLECULARLY CROSSLINKED AND STABILIZED MOIETY BOUND TO ACTIVATED THIOL RESIDUE DERIVED FROM PHOSPHOROTHIOATE COMPOUND | ABBOTT LABORATORIES (US) | 1998-04-07 | — | — | US | disclosed |
| EP-0795128-A2 | PHOSPHATASE ACTIVATED CROSSLINKING, CONJUGATING AND REDUCING AGENTS; METHODS OF USING SUCH AGENTS; AND REAGENTS COMPRISING PHOSPHATASE ACTIVATED CROSSLINKING AND CONJUGATING AGENTS | Abbott Laboratories (US) | 1997-09-17 | — | — | EP | disclosed |
| WO-1996017580-A9 | PHOSPHATASE ACTIVATED CROSSLINKING, CONJUGATING AND REDUCING AGENTS; METHODS OF USING SUCH AGENTS; AND REAGENTS COMPRISING PHOSPHATASE ACTIVATED CROSSLINKING AND CONJUGATING AGENTS | — | 1996-09-06 | — | — | WO | disclosed |
| WO-1996017580-A2 | PHOSPHATASE ACTIVATED CROSSLINKING, CONJUGATING AND REDUCING AGENTS; METHODS OF USING SUCH AGENTS; AND REAGENTS COMPRISING PHOSPHATASE ACTIVATED CROSSLINKING AND CONJUGATING AGENTS | ABBOTT LABORATORIES (US) | 1996-06-13 | — | — | WO | disclosed |