Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 15/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.59 |
| ▸ | PPARA | Q07869 | 12/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL4035454 | 0.98 | FFAR1 (0.59) | FFAR1PPARGPPARAKDRTP53 | |
| Potassium Ion SCHEMBL4034673 | 0.98 | FFAR1 (0.59) | FFAR1PPARGPPARAKDRTP53 | |
| Water SCHEMBL4035930 | 0.97 | FFAR1 (0.58) | FFAR1PPARGPPARAKDRTP53 | |
| SCHEMBL4028802 | 0.92 | FFAR1 (0.64) | FFAR1PPARGPPARAKDRTP53 | |
| SCHEMBL4035460 | 0.91 | FFAR1 (0.63) | FFAR1PPARGPPARAKDRTP53 | |
| Water SCHEMBL4035926 | 0.90 | FFAR1 (0.62) | FFAR1PPARGPPARAKDRTP53 | |
| SCHEMBL4032658 | 0.87 | FFAR1 (0.59) | FFAR1PPARGPPARAKDRTP53 | |
| SCHEMBL4031686 | 0.85 | FFAR1 (0.60) | FFAR1PPARGPPARAKDRTP53 | |
| SCHEMBL6583109 | 0.85 | FFAR1 (0.57) | FFAR1PPARGPPARAKDRTP53 | |
| SCHEMBL4031561 | 0.85 | PPARG (0.64) | FFAR1PPARGPPARAPPARD |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1357115-A1 | ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2003-10-29 | — | — | EP | disclosed |