Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL8746808 | 0.80 | TSHR (0.50) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL11872628 | 0.80 | TDP1 (0.40) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL29648890 | 0.78 | PDE2A (0.41) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL3960923 | 0.78 | TDP1 (0.39) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL162605 | 0.78 | PDE2A (0.41) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL11872782 | 0.77 | TDP1 (0.38) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL28473582 | 0.73 | CYP3A4 (0.47) | TDP1MAPK1CYP3A4ALDH1A1GABRA1 | |
| SCHEMBL28772905 | 0.73 | CYP3A4 (0.47) | TDP1MAPK1CYP3A4ALDH1A1GABRA1 | |
| SCHEMBL16599241 | 0.72 | AKR1C2 (0.43) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL29565739 | 0.71 | CYP3A4 (0.53) | TDP1MAPK1CYP3A4ALDH1A1HPGD |
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-101175720-A | Novel haloalkyl sulfone substituted compounds useful for the treatment of obesity and diabetes | NOVO NORDISK AS (DK) | 2008-05-07 | — | — | CN | disclosed |