Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.67 |
| ▸ | CES2 | O00748 | 2/20 | 0.67 |
| ▸ | FNTA | P49354 | 2/20 | 0.55 |
| ▸ | FNTB | P49356 | 2/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.54 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PAM | P19021 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7269859 | 0.82 | CES1 (0.73) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL43235 | 0.81 | CES1 (0.80) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL28203540 | 0.81 | CES1 (0.80) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL574185 | 0.81 | CES1 (1.00) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL9557735 | 0.81 | CES1 (0.64) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL3408866 | 0.79 | CES1 (0.76) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL11193388 | 0.79 | CES1 (0.76) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL468389 | 0.79 | CES1 (0.76) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL9217988 | 0.79 | CES1 (0.76) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL28232350 | 0.79 | CES1 (0.76) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0912467-B1 | ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE | RHODIA CHIMIE SA (FR) | 2002-04-24 | — | — | EP | claimed |