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 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL6327476 | 0.98 | ALDH1A1 (0.47) | ALDH1A1TSHRTHRBCES2 | |
| SCHEMBL6320646 | 0.82 | CES2 (0.35) | ALDH1A1TSHRCES2 | |
| SCHEMBL457731 | 0.81 | PKM (0.40) | ALDH1A1THRBCYP4F2CYP4A11 | |
| Water SCHEMBL10546251 | 0.80 | MEN1 (0.40) | ALDH1A1THRBCYP4F2CYP4A11 | |
| SCHEMBL7406644 | 0.80 | PKM (0.39) | ALDH1A1THRBCYP4F2CYP4A11 | |
| SCHEMBL10451649 | 0.79 | ALDH1A1 (0.45) | ALDH1A1TSHRCES2 | |
| SCHEMBL11447945 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRTHRBCES2CYP4F2 | |
| SCHEMBL9937107 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRBCES2 | |
| SCHEMBL6323107 | 0.76 | CES2 (0.50) | TSHRCES2 | |
| SCHEMBL9936950 | 0.76 | ALDH1A1 (0.54) | ALDH1A1TSHRTHRBCES2CYP4F2 |
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 |