Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL13825219 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CES2CES1MAPK1TDP1 | |
| SCHEMBL186779 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CES2CES1MAPK1TDP1 | |
| SCHEMBL566341 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CES2CES1MAPK1TDP1 | |
| SCHEMBL1307988 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CES2CES1MAPK1TDP1 | |
| SCHEMBL23458237 | 0.79 | KDM1A (0.48) | ALDH1A1CES2CES1MAPK1TDP1 | |
| SCHEMBL6900954 | 0.79 | KDM1A (0.48) | ALDH1A1CES2CES1MAPK1TDP1 | |
| SCHEMBL23458124 | 0.79 | KDM1A (0.48) | ALDH1A1CES2CES1MAPK1TDP1 | |
| SCHEMBL11206059 | 0.79 | KDM1A (0.48) | ALDH1A1CES2CES1MAPK1TDP1 | |
| SCHEMBL15358407 | 0.79 | KDM1A (0.39) | ALDH1A1CES2CES1MAPK1TDP1 | |
| SCHEMBL3258897 | 0.79 | KDM1A (0.39) | ALDH1A1CES2CES1MAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117157273-A | Hydrogenation of dienal or dienone with rhodium complexes in carbon monoxide free atmosphere | 弗门尼舍有限公司 | 2023-12-01 | — | — | CN | disclosed |