Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.60 |
| ▸ | CES2 | O00748 | 1/20 | 0.60 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.54 |
| ▸ | ERCC5 | P28715 | 5/20 | 0.52 |
| ▸ | FEN1 | P39748 | 5/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | FNTA | P49354 | 1/20 | 0.50 |
| ▸ | FNTB | P49356 | 1/20 | 0.50 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL51367 | 0.86 | CES1 (0.64) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL6363616 | 0.84 | CES1 (0.61) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL9111034 | 0.84 | CES1 (0.61) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL3966085 | 0.82 | AKR1B1 (0.65) | CES1CES2AKR1B1MEN1KMT2A | |
| Phenylpyruvate SCHEMBL43235 | 0.81 | CES1 (0.80) | CES1CES2AKR1B1ERCC5FEN1 | |
| Phenylpyruvate SCHEMBL28203540 | 0.81 | CES1 (0.80) | CES1CES2AKR1B1ERCC5FEN1 | |
| SCHEMBL77563 | 0.81 | CES1 (0.70) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL4882728 | 0.81 | CES1 (0.58) | CES1CES2AKR1B1MEN1KMT2A | |
| Phenylpyruvate SCHEMBL616906 | 0.81 | CES2 (0.64) | CES1CES2AKR1B1ERCC5FEN1 | |
| SCHEMBL7634176 | 0.80 | CES2 (0.52) | CES1CES2AKR1B1MEN1KMT2A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105061315-B | 1, 5-diphenylpyrazole-3-carboxylic acid compounds and application thereof | 大连理工大学 | 2017-10-24 | — | — | CN | claimed |
| WO-2022057787-A1 | PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 中国科学院上海有机化学研究所 | 2022-03-24 | — | — | WO | disclosed |
| CN-107912040-A | Pyrrolidine Amide Compounds As Histone Demethylase Inhibitors | 基因泰克公司 | 2018-04-13 | — | — | CN | disclosed |
| CN-105061315-B | 1, 5-diphenylpyrazole-3-carboxylic acid compounds and application thereof | 大连理工大学 | 2017-10-24 | — | — | CN | disclosed |
| EP-1078913-B1 | Process for the preparation of diesters of (meth)acrylic acid | ROEHM GMBH (DE) | 2004-03-24 | — | — | EP | disclosed |
| EP-1078913-A2 | Process for the preparation of diesters of (meth)acrylic acid | RÖHM GMBH (DE) | 2001-02-28 | — | — | EP | disclosed |
| EP-0620857-B1 | SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS | GENZYME LTD (GB) | 2000-08-02 | — | — | EP | disclosed |
| US-5686275-A | LACTATE DEHYDROGENASE | GENZYME LTD. (GB) | 1997-11-11 | — | — | US | disclosed |
| EP-0620857-A1 | SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS | Genzyme Limited (GB) | 1994-10-26 | — | — | EP | disclosed |
| WO-1993013215-A1 | SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS | GENZYME LIMITED (GB) | 1993-07-08 | — | — | WO | disclosed |