Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.50 |
| ▸ | CES2 | O00748 | 6/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | CTSG | P08311 | 1/20 | 0.35 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL392424 | 0.88 | CES2 (0.46) | CES1CES2ALDH1A1PRSS1CTSG | |
| SCHEMBL21114377 | 0.83 | CES1 (0.65) | CES1CES2CA1FAAHALDH1A1 | |
| SCHEMBL8736205 | 0.81 | ELANE (0.32) | ALDH1A1ELANE | |
| SCHEMBL6879249 | 0.79 | ALDH1A1 (0.46) | CES1CES2CA1ALDH1A1TP53 | |
| SCHEMBL9485730 | 0.78 | ALDH1A1 (0.50) | CES1CES2CA1ALDH1A1TP53 | |
| SCHEMBL9485726 | 0.78 | ALDH1A1 (0.50) | CES1CES2CA1ALDH1A1TP53 | |
| SCHEMBL28008547 | 0.77 | CES1 (0.56) | CES1CES2CA1FAAHALDH1A1 | |
| SCHEMBL1088812 | 0.75 | CES1 (0.54) | CES1CES2CA1FAAHALDH1A1 | |
| SCHEMBL28947326 | 0.75 | ALDH1A1 (0.58) | CES1CES2CA1FAAHALDH1A1 | |
| SCHEMBL10697593 | 0.74 | TSHR (0.50) | ALDH1A1ELANE |
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-0693473-B1 | Method of producing pivaloylacetic acid ester | UBE INDUSTRIES (JP) | 1998-04-22 | — | — | EP | disclosed |
| US-5679830-A | DECARBONYLATION OF PIVALOYLPYRUVIC ACID IN THE PRESENCE OF AN INORGANIC OXIDE CATALYST | UBE INDUSTRIES, LTD. (JP) | 1997-10-21 | — | — | US | disclosed |
| EP-0693473-A1 | Method of producing pivaloylacetic acid ester | UBE INDUSTRIES, LTD. (JP) | 1996-01-24 | — | — | EP | disclosed |