Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL6322471 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTHRBHSD17B10DGKA | |
| SCHEMBL6321420 | 0.98 | ALDH1A1 (0.44) | ALDH1A1TSHRTHRBHSD17B10DGKA | |
| SCHEMBL6321416 | 0.98 | ALDH1A1 (0.44) | ALDH1A1TSHRTHRBHSD17B10DGKA | |
| SCHEMBL9362556 | 0.84 | NAAA (0.34) | ALDH1A1TSHRDGKA | |
| SCHEMBL1532632 | 0.83 | GAA (0.44) | ALDH1A1TSHRHSD17B10 | |
| SCHEMBL16190580 | 0.83 | GAA (0.44) | ALDH1A1TSHRHSD17B10 | |
| SCHEMBL195939 | 0.83 | GAA (0.44) | ALDH1A1TSHRHSD17B10 | |
| SCHEMBL9362541 | 0.81 | NAAA (0.44) | ALDH1A1TSHRDGKA | |
| SCHEMBL7054687 | 0.79 | NAAA (0.52) | ALDH1A1TSHRDGKA | |
| SCHEMBL9937598 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRTHRBHSD17B10DGKA |
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-6893861-B1 | Method for producing trifluoro-3(r)-hydroxybutyric acid derivatives | LONZA AG (CH) | 2005-05-17 | — | — | US | disclosed |