Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL31188778 | 0.86 | HDAC3 (0.33) | CES1ALDH1A1L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL9901329 | 0.83 | HDAC3 (0.38) | CES1 | |
| Trifluoroacetic Acid SCHEMBL12476430 | 0.80 | ALDH1A1 (0.42) | CES1ALDH1A1L3MBTL1THRB | |
| Trifluoroacetic Acid SCHEMBL27502401 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL1313648 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL31550881 | 0.79 | PKM (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL4345243 | 0.77 | CES1 (0.48) | CES1ALDH1A1L3MBTL1THRB | |
| Trifluoroacetic Acid SCHEMBL7814389 | 0.77 | ALDH1A1 (0.44) | CES1ALDH1A1L3MBTL1THRB | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.77 | — | — | |
| Trifluoroacetic Acid SCHEMBL2484766 | 0.77 | ALDH1A1 (0.44) | CES1ALDH1A1L3MBTL1THRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105254474-A | Method for preparing chiral citronellol through asymmetric catalytic hydrogenation of citral | WANHUA CHEMICAL GROUP CO LTD | 2016-01-20 | — | — | CN | disclosed |
| CN-105218335-A | A kind of method being prepared chirality geranial by citral asymmetric catalytic hydrogenation | WANHUA CHEMICAL GROUP CO LTD | 2016-01-06 | — | — | CN | disclosed |