Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.50 |
| ▸ | CYSLTR1 | Q9Y271 | 11/20 | 0.47 |
| ▸ | CYSLTR2 | Q9NS75 | 10/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.46 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7704262 | 0.90 | GPBAR1 (0.50) | GPBAR1CYSLTR1CYSLTR2PDE10AALOX5 | |
| SCHEMBL7706340 | 0.90 | CYSLTR1 (0.53) | GPBAR1CYSLTR1CYSLTR2 | |
| SCHEMBL7712828 | 0.88 | PDE10A (0.48) | GPBAR1CYSLTR1CYSLTR2PDE10AALOX5AP | |
| SCHEMBL7710762 | 0.84 | NPC1 (0.34) | GPBAR1CYSLTR1CYSLTR2PDE10AALOX5AP | |
| SCHEMBL7703187 | 0.84 | GPBAR1 (0.63) | GPBAR1CYSLTR1CYSLTR2PDE10AALOX5AP | |
| SCHEMBL1695576 | 0.84 | GPBAR1 (0.63) | GPBAR1CYSLTR1CYSLTR2PDE10AALOX5AP | |
| SCHEMBL1695577 | 0.84 | GPBAR1 (0.63) | GPBAR1CYSLTR1CYSLTR2PDE10AALOX5AP | |
| SCHEMBL7705628 | 0.84 | GPBAR1 (0.49) | GPBAR1CYSLTR1CYSLTR2PDE10AALOX5AP | |
| SCHEMBL1695698 | 0.83 | GPBAR1 (0.58) | GPBAR1CYSLTR1CYSLTR2PDE10AALOX5AP | |
| SCHEMBL1695695 | 0.83 | GPBAR1 (0.58) | GPBAR1CYSLTR1CYSLTR2PDE10AALOX5AP |
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 |