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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.48 |
| ▸ | PPARD known ✓ | Q03181 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.58 |
| ▸ | PPARG | P37231 | 15/20 | 0.54 |
| ▸ | PPARA | Q07869 | 12/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4031428 | 0.97 | FFAR1 (0.59) | FFAR1PPARGPPARAKDRTP53 | |
| Potassium Ion SCHEMBL4034673 | 0.97 | FFAR1 (0.59) | FFAR1PPARGPPARAKDRTP53 | |
| Lithium Ion SCHEMBL4035454 | 0.97 | FFAR1 (0.59) | FFAR1PPARGPPARAKDRTP53 | |
| Water SCHEMBL4035926 | 0.91 | FFAR1 (0.62) | FFAR1PPARGPPARAKDRTP53 | |
| SCHEMBL4028802 | 0.91 | FFAR1 (0.64) | FFAR1PPARGPPARAKDRTP53 | |
| SCHEMBL4035460 | 0.90 | FFAR1 (0.63) | FFAR1PPARGPPARAKDRTP53 | |
| SCHEMBL4032658 | 0.86 | FFAR1 (0.59) | FFAR1PPARGPPARAKDRTP53 | |
| SCHEMBL4031686 | 0.84 | FFAR1 (0.60) | FFAR1PPARGPPARAKDRTP53 | |
| SCHEMBL4031561 | 0.84 | PPARG (0.64) | FFAR1PPARGPPARAPPARD | |
| SCHEMBL6583109 | 0.84 | FFAR1 (0.57) | FFAR1PPARGPPARAKDRTP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1357115-B1 | ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2009-06-17 | — | — | EP | disclosed |
| US-7238716-B2 | Alkanoic acid derivatives process for their production and use thereof | TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) | 2007-07-03 | — | — | US | disclosed |
| US-20040058965-A1 | Alkanoic acid derivatives process for their production and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-03-25 | — | — | US | disclosed |
| EP-1357115-A1 | ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2003-10-29 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040058965-A1 | Alkanoic acid derivatives process for their production and use thereof | GPR119, ACOX1, ALK | KDR 1328/4885PPARD 754/4885FFAR1 4/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.