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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.69 |
| ▸ | ATM | Q13315 | 1/20 | 0.66 |
| ▸ | APP | P05067 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| Stearyl Fumaric Acid SCHEMBL1702535 | 1.00 | HCAR2 (0.69) | HCAR2ATMAPPMAPTRAB9A | |
| SCHEMBL8846467 | 1.00 | HCAR2 (0.69) | HCAR2ATMAPPMAPTRAB9A | |
| Hexyl Fumarate SCHEMBL11528189 | 1.00 | HCAR2 (0.69) | HCAR2ATMAPPMAPTRAB9A | |
| SCHEMBL11798238 | 1.00 | HCAR2 (0.69) | HCAR2ATMAPPMAPTRAB9A | |
| SCHEMBL8846967 | 1.00 | HCAR2 (0.69) | HCAR2ATMAPPMAPTRAB9A | |
| SCHEMBL8846477 | 1.00 | HCAR2 (0.69) | HCAR2ATMAPPMAPTRAB9A | |
| SCHEMBL8846972 | 1.00 | HCAR2 (0.69) | HCAR2ATMAPPMAPTRAB9A | |
| SCHEMBL10732344 | 1.00 | HCAR2 (0.69) | HCAR2ATMAPPMAPTRAB9A | |
| SCHEMBL10733209 | 1.00 | HCAR2 (0.69) | HCAR2ATMAPPMAPTRAB9A | |
| Stearyl Fumaric Acid SCHEMBL10731307 | 1.00 | HCAR2 (0.69) | HCAR2ATMAPPMAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-3953616-A | POTATOES, 1A-2A SALTS OF MONOALKYL FUMARATES AND MALEATES | PFIZER INC. (US) | 1976-04-27 | — | — | US | disclosed |