Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 10/20 | 0.42 |
| ▸ | CES1 | P23141 | 10/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23845906 | 0.86 | CES2 (0.47) | CES2CES1ALDH1A1MAPK1AKT1 | |
| SCHEMBL18413421 | 0.77 | AKT1 (0.52) | CES2CES1ALDH1A1MAPK1AKT1 | |
| SCHEMBL18413409 | 0.75 | AKT1 (0.54) | CES2CES1ALDH1A1MAPK1AKT1 | |
| SCHEMBL19420680 | 0.74 | AKT1 (0.46) | CES2CES1ALDH1A1MAPK1AKT1 | |
| SCHEMBL21572126 | 0.74 | AKT1 (0.48) | CES2CES1ALDH1A1MAPK1AKT1 | |
| SCHEMBL25552738 | 0.70 | ALDH1A1 (0.42) | CES2CES1ALDH1A1AKT1MAPT | |
| SCHEMBL22924919 | 0.69 | AKT1 (0.47) | CES2CES1ALDH1A1MAPK1AKT1 | |
| SCHEMBL23052695 | 0.69 | CES2 (0.47) | CES2CES1ALDH1A1MAPTLMNA | |
| SCHEMBL3258198 | 0.68 | AKT1 (0.50) | CES2CES1ALDH1A1MAPK1AKT1 | |
| Benzil SCHEMBL4814635 | 0.68 | CES2 (0.82) | CES2CES1ALDH1A1MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3697747-B1 | PROCESS FOR THE CHLORINATION AT THE ALPHA-H POSITION OF ALKYLARENES VARIOUSLY SUBSTITUTED ON THE AROMATIC RING | UNIV DEGLI STUDI CAGLIARI (IT) | 2022-06-08 | — | — | EP | disclosed |