Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 16/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8036266 | 0.91 | PPARG (0.76) | PPARGCYP2C9CYP3A4CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL4565326 | 0.90 | PPARG (0.75) | PPARGCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8036263 | 0.90 | PPARG (0.74) | PPARGCYP2C9CYP3A4CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL4565573 | 0.89 | PPARG (0.73) | PPARGCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8023621 | 0.87 | PPARG (1.00) | PPARGCYP2C9CYP3A4CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL4534887 | 0.86 | PPARG (0.98) | PPARGCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8038702 | 0.82 | PPARG (0.65) | PPARGCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8035855 | 0.79 | PPARG (0.67) | PPARGCYP2C9CYP3A4CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL4564519 | 0.79 | PPARG (0.66) | PPARGCYP2C9CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8035893 | 0.75 | PPARG (1.00) | PPARGCYP2C9CYP3A4CYP1A2CYP2D6 |
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 |