Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 9/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | SPR | P35270 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL650661 | 0.92 | NR1H2 (0.42) | RETNR1H2NR1H3GPR119NAMPT | |
| SCHEMBL652009 | 0.86 | GPR119 (0.45) | RETNR1H2NR1H3GPR119NAMPT | |
| SCHEMBL650034 | 0.85 | GPR119 (0.43) | RETNR1H2NR1H3GPR119USP30 | |
| SCHEMBL650737 | 0.85 | GPR119 (0.43) | RETNR1H2NR1H3GPR119USP30 | |
| SCHEMBL3573450 | 0.85 | CHRNB4 (0.39) | CHRNB4CHRNA3 | |
| SCHEMBL654584 | 0.84 | CHRNB2 (0.47) | RETNR1H2NR1H3GPR119USP30 | |
| SCHEMBL650797 | 0.84 | CHRNB2 (0.47) | RETNR1H2NR1H3GPR119USP30 | |
| SCHEMBL653685 | 0.83 | RET (0.46) | RETNR1H2NR1H3GPR119CHRNB4 | |
| SCHEMBL649486 | 0.83 | NR1H2 (0.44) | RETNR1H2NR1H3GPR119NAMPT | |
| SCHEMBL652482 | 0.83 | NR1H2 (0.42) | RETNR1H2NR1H3GPR119PIK3CA |
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 |