Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 7/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 5/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2770409 | 0.94 | NR1H4 (0.49) | NR1H4PPARDPDGFRAS1PR1ROCK1 | |
| SCHEMBL2771506 | 0.89 | NR1H4 (0.49) | NR1H4PPARDPDGFRAS1PR1ROCK1 | |
| SCHEMBL2772215 | 0.87 | NR1H4 (0.56) | NR1H4PPARDPDGFRAS1PR1ROCK1 | |
| SCHEMBL2773885 | 0.86 | NR1H4 (0.59) | NR1H4PPARA | |
| SCHEMBL2773434 | 0.85 | NR1H4 (0.54) | NR1H4PDGFRAS1PR1ROCK1S1PR5 | |
| SCHEMBL2773675 | 0.85 | NR1H4 (0.48) | NR1H4PPARDPPARAPPARG | |
| SCHEMBL2771518 | 0.84 | NR1H4 (0.50) | NR1H4 | |
| SCHEMBL2772745 | 0.84 | NR1H4 (0.53) | NR1H4PPARDPDGFRAS1PR1ROCK1 | |
| SCHEMBL2772157 | 0.83 | NR1H4 (0.53) | NR1H4PPARDPPARAPPARG | |
| SCHEMBL2773708 | 0.83 | NR1H4 (0.53) | NR1H4PPARDPPARAPPARG |
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 |
|---|---|---|---|---|---|---|---|
| EP-2029547-B1 | FXR AGONISTS | LILLY CO ELI (US) | 2010-04-28 | — | — | EP | disclosed |