Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6561003 | 0.96 | CYP3A4 (0.40) | CYP3A4TSHRPIK3CAALDH1A1TP53 | |
| SCHEMBL24697150 | 0.77 | CYP3A4 (0.35) | CYP3A4TSHRPIK3CAALDH1A1TP53 | |
| SCHEMBL30040952 | 0.77 | CYP3A4 (0.35) | CYP3A4TSHRPIK3CAALDH1A1TP53 | |
| SCHEMBL18101283 | 0.76 | ACHE (0.30) | — | |
| SCHEMBL219898 | 0.74 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL850724 | 0.74 | CYP3A4 (0.46) | CYP3A4TSHRPIK3CAALDH1A1TP53 | |
| SCHEMBL14355599 | 0.73 | ALDH1A1 (0.35) | CYP3A4TSHRALDH1A1THRBALOX15 | |
| SCHEMBL6562515 | 0.73 | ALDH1A1 (0.43) | CYP3A4TSHRPIK3CAALDH1A1TP53 | |
| SCHEMBL14631792 | 0.73 | ALDH1A1 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TP53 | |
| SCHEMBL16805981 | 0.72 | CYP3A4 (0.43) | CYP3A4TSHRPIK3CAALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1214296-A1 | SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | AstraZeneca AB (SE) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001017956-A1 | SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 2001-03-15 | — | — | WO | disclosed |