Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 5/20 | 0.46 |
| ▸ | CES1 | P23141 | 4/20 | 0.43 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL28231484 | 0.86 | ALDH1A1 (0.45) | CES2ALDH1A1HSD17B10GMNNTP53 | |
| SCHEMBL2907811 | 0.80 | ALDH1A1 (0.57) | CES2ALDH1A1HSD17B10GMNNTP53 | |
| SCHEMBL28004162 | 0.79 | ALDH1A1 (0.36) | CES2ALDH1A1HSD17B10FAAHLMNA | |
| Acetic Acid Methyl Ester SCHEMBL28722291 | 0.78 | CES2 (0.57) | CES2ALDH1A1HSD17B10GMNNTP53 | |
| SCHEMBL28231481 | 0.78 | ALDH1A1 (0.50) | CES2ALDH1A1FAAHCES1 | |
| SCHEMBL28812051 | 0.77 | CES1 (0.36) | CES2ALDH1A1HSD17B10FAAHCES1 | |
| SCHEMBL25596532 | 0.77 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28344181 | 0.77 | CES2 (0.61) | CES2ALDH1A1HSD17B10GMNNTP53 | |
| SCHEMBL13756256 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HSD17B10FAAHLMNA | |
| SCHEMBL27964443 | 0.76 | CES1 (0.34) | CES2ALDH1A1HSD17B10FAAHCES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6730805-B2 | LABELLED DEUTERATED 13C ARYLTHIO ALKANOL ESTER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2004-05-04 | — | — | US | claimed |