Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 5/20 | 0.37 |
| ▸ | PPARG | P37231 | 4/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL2865400 | 1.00 | PPARA (0.37) | PPARAPPARGMRGPRX4XDHSLC22A12 | |
| SCHEMBL2859483 | 1.00 | PPARA (0.37) | PPARAPPARGMRGPRX4XDHSLC22A12 | |
| Water SCHEMBL2868338 | 1.00 | PPARA (0.37) | PPARAPPARGMRGPRX4XDHSLC22A12 | |
| SCHEMBL27705612 | 1.00 | PPARA (0.37) | PPARAPPARGMRGPRX4XDHSLC22A12 | |
| SCHEMBL4339362 | 0.93 | PPARA (0.42) | PPARAPPARGMRGPRX4XDHSLC22A12 | |
| SCHEMBL2866321 | 0.93 | PPARA (0.42) | PPARAPPARGMRGPRX4XDHSLC22A12 | |
| SCHEMBL4327670 | 0.93 | PPARA (0.42) | PPARAPPARGMRGPRX4XDHSLC22A12 | |
| SCHEMBL13810963 | 0.91 | XDH (0.38) | PPARAPPARGMRGPRX4XDHSLC22A12 | |
| SCHEMBL13085586 | 0.90 | P2RX3 (0.35) | PPARAPPARGXDHSLC22A12NPC1 | |
| SCHEMBL13085675 | 0.86 | NOS2 (0.36) | MRGPRX4XDHSLC22A12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006115130-A1 | CALCIUM BIS[(2S)-3-[3-[(2S)-3-(4-CHLORO-2-CYANOPHENOXY)-2- FLUOROPROPOXY]PHENYL]-2-ISOPROPOXYPROPIONATE] AND INTERMEDIATE THEREOF | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2006-11-02 | — | — | WO | disclosed |