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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.59 |
| ▸ | MMP1 known ✓ | P03956 | 2/20 | 0.34 |
| ▸ | MMP8 known ✓ | P22894 | 2/20 | 0.34 |
| ▸ | MMP13 known ✓ | P45452 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 10/20 | 0.34 |
| ▸ | CA1 | P00915 | 9/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | MMP9 | P14780 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7779859 | 0.97 | THRB (0.62) | THRBLMNACA2CA1MMP1 | |
| SCHEMBL955674 | 0.97 | THRB (0.62) | THRBLMNACA2CA1MMP1 | |
| SCHEMBL7779621 | 0.97 | THRB (0.62) | THRBLMNACA2CA1MMP1 | |
| SCHEMBL536269 | 0.97 | THRB (0.62) | THRBLMNACA2CA1MMP1 | |
| SCHEMBL428315 | 0.97 | THRB (0.62) | THRBLMNACA2CA1MMP1 | |
| SCHEMBL7782672 | 0.97 | THRB (0.62) | THRBLMNACA2CA1MMP1 | |
| SCHEMBL953593 | 0.97 | THRB (0.62) | THRBLMNACA2CA1MMP1 | |
| SCHEMBL465610 | 0.97 | THRB (0.62) | THRBLMNACA2CA1MMP1 | |
| SCHEMBL957654 | 0.97 | THRB (0.62) | THRBLMNACA2CA1MMP1 | |
| SCHEMBL957476 | 0.97 | THRB (0.62) | THRBLMNACA2CA1MMP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4467121-A | Fluorinated diphenols and method for their preparation | GENERAL ELECTRIC COMPANY (US) | 1984-08-21 | — | — | US | disclosed |
| EP-0067851-A4 | FLUORINATED MONOPHENOLS AND DIPHENOLS AND METHOD FOR THEIR PREPARATION. | GEN ELECTRIC (US) | 1983-06-09 | — | — | EP | disclosed |
| EP-0067856-A4 | FLUORINATED DIPHENOLS AND METHOD FOR THEIR PREPARATION. | GEN ELECTRIC (US) | 1983-06-08 | — | — | EP | disclosed |
| EP-0067851-A1 | FLUORINATED MONOPHENOLS AND DIPHENOLS AND METHOD FOR THEIR PREPARATION | GENERAL ELECTRIC COMPANY (US) | 1982-12-29 | — | — | EP | disclosed |
| EP-0067856-A1 | FLUORINATED DIPHENOLS AND METHOD FOR THEIR PREPARATION | GENERAL ELECTRIC COMPANY (US) | 1982-12-29 | — | — | EP | disclosed |
| US-4365098-A | Fluorinated diphenols and method for their preparation | GENERAL ELECTRIC COMPANY (US) | 1982-12-21 | — | — | US | disclosed |
| US-4358624-A | FLUOROPOLYMERS; POLYCARBONATES; FIREPROOFING | GENERAL ELECTRIC COMPANY (US) | 1982-11-09 | — | — | US | disclosed |
| WO-1982002380-A1 | FLUORINATED MONOPHENOLS AND DIPHENOLS AND METHOD FOR THEIR PREPARATION | GEN ELECTRIC (US) | 1982-07-22 | — | — | WO | disclosed |
| WO-1982002381-A1 | FLUORINATED DIPHENOLS AND METHOD FOR THEIR PREPARATION | GEN ELECTRIC (US) | 1982-07-22 | — | — | WO | disclosed |