Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.64 |
| ▸ | CES2 | O00748 | 2/20 | 0.64 |
| ▸ | FNTA | P49354 | 2/20 | 0.53 |
| ▸ | FNTB | P49356 | 2/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.47 |
| ▸ | PAM | P19021 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL8311407 | 0.82 | CES2 (0.61) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL339795 | 0.81 | CES1 (0.67) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL27918597 | 0.80 | CES1 (0.48) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL574185 | 0.79 | CES1 (1.00) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL11044523 | 0.79 | CES1 (0.64) | CES1CES2FNTAFNTBAKR1B1 | |
| Methyl Phenylpyruvate SCHEMBL237446 | 0.79 | CES2 (0.64) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL4466195 | 0.79 | CES1 (0.57) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL10814196 | 0.78 | ALDH1A1 (0.61) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL7636977 | 0.78 | ALDH1A1 (0.66) | CES1CES2FNTAFNTBAKR1B1 | |
| Methyl Phenylpyruvate SCHEMBL27849227 | 0.78 | CES2 (0.61) | 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-1646718-A2 | METHODS FOR THE STEREOSELECTIVE SYNTHESIS AND ENANTIOMERIC ENRICHMENT OF B-AMINO ACIDS | Pharmacia Corporation (US) | 2006-04-19 | — | — | EP | disclosed |
| WO-2005005633-A2 | METHODS FOR THE STEREOSELECTIVE SYNTHESIS AND ENANTIOMERIC ENRICHMENT OF B-AMINO ACIDS | PHARMACIA CORPORATION (US) | 2005-01-20 | — | — | WO | disclosed |
| US-20050009151-A1 | Methods for the stereospecific and enantiomeric enrichment of beta-amino acids | PHARMACIA CORPORATION | 2005-01-13 | — | — | US | disclosed |