Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.43 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 11/20 | 0.37 |
| ▸ | CCR5 | P51681 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL652498 | 0.89 | RET (0.41) | NR1H2NR1H3RETNAMPTGPR119 | |
| SCHEMBL3578060 | 0.88 | CHRNB2 (0.34) | — | |
| SCHEMBL652866 | 0.87 | RET (0.42) | NR1H2NR1H3RETNAMPTGPR119 | |
| SCHEMBL654453 | 0.84 | RET (0.45) | NR1H2NR1H3RETNAMPTGPR119 | |
| Hydrochloric Acid SCHEMBL653100 | 0.80 | CHRNB2 (0.49) | NR1H2NR1H3RETNAMPTGPR119 | |
| SCHEMBL652442 | 0.79 | RET (0.50) | NR1H2NR1H3RETNAMPTGPR119 | |
| SCHEMBL649860 | 0.79 | NR1H2 (0.40) | NR1H2NR1H3RETNAMPTGPR119 | |
| SCHEMBL3578532 | 0.77 | CHRNB2 (0.38) | — | |
| SCHEMBL650034 | 0.77 | GPR119 (0.43) | NR1H2NR1H3RETGPR119 | |
| SCHEMBL650737 | 0.77 | GPR119 (0.43) | NR1H2NR1H3RETGPR119 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8119635-B2 | Diazabicyclic central nervous system active agents | ABBOTT LABORATORIES (US) | 2012-02-21 | — | — | US | disclosed |
| EP-2298775-A1 | Diazabicyclic central nervous system active agents | Abbott Laboratories (US) | 2011-03-23 | — | — | EP | disclosed |
| EP-2295437-A1 | Diazabicyclic central nervous system active agents | Abbott Laboratories (US) | 2011-03-16 | — | — | EP | disclosed |