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 | |
|---|---|---|---|---|
| ▸ | DHFR known ✓ | P00374 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.47 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.47 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.47 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 3/20 | 0.41 |
| ▸ | RORB | Q92753 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | GSTA1 | P08263 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11529950 | 0.98 | PTGER4 (0.48) | PTGER4PTGER3PTGER1PTGER2KMO | |
| Water SCHEMBL11409301 | 0.91 | HNF4A (0.47) | HNF4AALDH1A1MAPK1TDP1BCAT2 | |
| Water SCHEMBL11415614 | 0.91 | HNF4A (0.47) | HNF4AALDH1A1MAPK1TDP1BCAT2 | |
| SCHEMBL11530624 | 0.80 | ACMSD (0.51) | PTGER4PTGER3PTGER1PTGER2KMO | |
| SCHEMBL11528277 | 0.79 | PTGER1 (0.43) | PTGER4PTGER3PTGER1PTGER2KMO | |
| SCHEMBL6321242 | 0.76 | KMO (0.53) | PTGER4PTGER3PTGER1PTGER2KMO | |
| Water SCHEMBL11418867 | 0.76 | ALDH1A1 (0.44) | ALDH1A1MAPK1TDP1 | |
| SCHEMBL7864455 | 0.75 | BCAT2 (0.59) | HNF4AALDH1A1MAPK1TDP1BCAT2 | |
| SCHEMBL27634897 | 0.75 | BCAT2 (0.53) | HNF4AALDH1A1MAPK1TDP1BCAT2 | |
| SCHEMBL11702408 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MAPK1TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4147728-A | Disubstituted meta-terphenyl compounds and resulting polymers | INSTITUT FRANCAIS DU PETROLE (FR) | 1979-04-03 | — | — | US | disclosed |
| US-4064176-A | Di-substituted meta-terphenyl compounds and resulting polymers | INSTITUT FRANCAIS DU PETROLE (FR) | 1977-12-20 | — | — | US | disclosed |
| US-4045414-A | New di-substituted meta-terphenyl compounds and resulting polymers | INSTITUT FRANCAIS DU PETROLE (FR) | 1977-08-30 | — | — | US | disclosed |