Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenylpyruvate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.61 |
| ▸ | CES2 | O00748 | 2/20 | 0.61 |
| ▸ | FNTA | P49354 | 1/20 | 0.52 |
| ▸ | FNTB | P49356 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALPG | P10696 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Phenylpyruvate SCHEMBL3408857 | 0.92 | CES1 (0.73) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL9218269 | 0.89 | CES1 (0.76) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL28444765 | 0.87 | CES1 (0.73) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL9217781 | 0.87 | CES1 (0.73) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL28450711 | 0.87 | CES1 (0.73) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL9217973 | 0.87 | CES1 (0.73) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL468354 | 0.87 | CES1 (0.73) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL7381155 | 0.85 | CES1 (0.70) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL106635 | 0.83 | CES1 (0.73) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL29523177 | 0.81 | CES1 (0.70) | CES1CES2FNTAFNTBAKR1B1 |
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-2389187-A1 | SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL | Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center (US) | 2011-11-30 | — | — | EP | disclosed |
| US-8040867-B2 | Method of multi-antenna wireless data emission, emitter and receiver using the method | MITSUBISHI ELECTRIC CORPORATION (JP) | 2011-10-18 | — | — | US | disclosed |
| WO-2010085452-A9 | SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL | LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR - UCLA MEDICAL CENTER (US) | 2011-01-06 | — | — | WO | disclosed |