Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.58 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | FNTA | P49354 | 1/20 | 0.48 |
| ▸ | FNTB | P49356 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | PAM | P19021 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
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 SCHEMBL9557730 | 0.92 | CES1 (0.61) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL2456063 | 0.86 | CES1 (0.54) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL711308 | 0.83 | CES1 (0.50) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL3268826 | 0.82 | CES1 (0.54) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL9311026 | 0.79 | CYP4F2 (0.52) | L3MBTL1ALDH1A1GAATSHRMAPT | |
| SCHEMBL7537694 | 0.77 | CES1 (0.67) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL7277539 | 0.77 | KEAP1 (0.61) | KMT2AHDAC8HDAC6ALDH1A1MAPK1 | |
| SCHEMBL8616006 | 0.77 | CES2 (0.48) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL7269859 | 0.76 | CES1 (0.73) | CES1CES2AKR1B1CTBP2MEN1 | |
| Phenylpyruvate SCHEMBL9557735 | 0.76 | CES1 (0.64) | CES1CES2AKR1B1CTBP2MEN1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108430968-A | Industrial process for the preparation of (5S,10S) -10-benzyl-16-methyl-11, 14, 18-trioxo-15, 17, 19-trioxa-2, 7, 8-trithia-12-azaheneicosane-5-ammonium (E) -3-carboxy acrylate | 领先药物公司 | 2018-08-21 | — | — | CN | disclosed |
| US-20040069208-A1 | Process for crystallizing enantiomerically enriched 2-acetylthio-3-phenylpropionic acid | DSM IP ASSETS B.V. (NL) | 2004-04-15 | — | — | US | disclosed |
| EP-1313702-A1 | PROCESS FOR CRYSTALLIZING ENANTIOMERICALLY ENRICHED 2-ACETYLTHIO-3-PHENYLPROPIONIC ACID | DSM N.V. (NL) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002006217-A1 | PROCESS FOR CRYSTALLIZING ENANTIOMERICALLY ENRICHED 2-ACETYLTHIO-3-PHENYLPROPIONIC ACID | DSM N.V. (NL) | 2002-01-24 | — | — | WO | disclosed |
| EP-0414730-B1 | Chemical Compounds and pharmaceutical compositions capable of releasing a drug | MILLS RANDELL L (US) | 1999-12-15 | — | — | EP | disclosed |
| US-5348944-A | Hypotensive agents | SCHERING CORPORATION (US) | 1994-09-20 | — | — | US | disclosed |
| US-4766110-A | INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS | RYAN JAMES W (US) | 1988-08-23 | — | — | US | disclosed |
| EP-0073143-B1 | NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES | Ryan, James Walter (US) | 1985-11-21 | — | — | EP | disclosed |
| US-4472380-A | CARBOXYALKYL DIPEPTIDE DERIVATIVES | MERCK & CO., INC. (US) | 1984-09-18 | — | — | US | disclosed |
| EP-0073143-A2 | Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides | Ryan, James Walter (US) | 1983-03-02 | — | — | EP | disclosed |
| US-4374829-A | Aminoacid derivatives as antihypertensives | MERCK & CO., INC. (US) | 1983-02-22 | — | — | US | disclosed |
| EP-0048159-A2 | Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents | UNIVERSITY OF MIAMI (US) | 1982-03-24 | — | — | EP | disclosed |
| EP-0012401-A1 | Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them | MERCK & CO. INC. (US) | 1980-06-25 | — | — | EP | disclosed |