Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.49 |
| ▸ | CYSLTR1 | Q9Y271 | 9/20 | 0.49 |
| ▸ | CYSLTR2 | Q9NS75 | 7/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1695630 | 0.92 | GPBAR1 (0.48) | GPBAR1CYSLTR1CYSLTR2PDE10A | |
| SCHEMBL7709687 | 0.92 | GPBAR1 (0.48) | GPBAR1CYSLTR1CYSLTR2PDE10A | |
| SCHEMBL1695667 | 0.86 | GPBAR1 (0.49) | GPBAR1CYSLTR1CYSLTR2PDE10AALDH1A1 | |
| SCHEMBL1695659 | 0.86 | GPBAR1 (0.56) | GPBAR1CYSLTR1CYSLTR2PDE10A | |
| SCHEMBL1695655 | 0.86 | GPBAR1 (0.56) | GPBAR1CYSLTR1CYSLTR2PDE10A | |
| SCHEMBL7705369 | 0.83 | GPBAR1 (0.63) | GPBAR1CYSLTR1CYSLTR2PDE10A | |
| SCHEMBL7701155 | 0.82 | GPBAR1 (0.50) | GPBAR1CYSLTR1CYSLTR2PDE10A | |
| SCHEMBL7706285 | 0.81 | GPBAR1 (0.57) | GPBAR1CYSLTR1CYSLTR2PDE10A | |
| SCHEMBL1695566 | 0.80 | GPBAR1 (0.50) | GPBAR1CYSLTR1CYSLTR2PDE10A | |
| SCHEMBL1695564 | 0.80 | GPBAR1 (0.50) | GPBAR1CYSLTR1CYSLTR2PDE10A |
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-2011138657-A1 | ARYL SUBSTITUTED OLEFINIC COMPOUNDS AS PDE10A INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-11-10 | — | — | WO | disclosed |