Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 20/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 1/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| SCHEMBL29928643 | 1.00 | PPARG (1.00) | PPARGCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4539264 | 0.87 | PPARG (1.00) | PPARGCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4530943 | 0.85 | PPARG (1.00) | PPARGCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22987224 | 0.84 | PPARG (0.74) | PPARGCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22987227 | 0.84 | PPARG (0.74) | PPARGCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8023621 | 0.84 | PPARG (1.00) | PPARGCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4539858 | 0.84 | PPARG (0.89) | PPARGCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4540831 | 0.84 | PPARG (0.85) | PPARGCYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL4534887 | 0.83 | PPARG (0.98) | PPARGCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4542949 | 0.82 | PPARG (1.00) | PPARGCYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009083526-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-07-09 | — | — | WO | disclosed |