Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 10/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 10/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 8/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 8/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.35 |
| ▸ | GCK | P35557 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7097543 | 1.00 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3IDO1 | |
| SCHEMBL7101916 | 0.92 | DRD2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3IDO1 | |
| SCHEMBL7102433 | 0.92 | DRD2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3IDO1 | |
| SCHEMBL7102531 | 0.91 | PROKR1 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3IDO1 | |
| SCHEMBL7097805 | 0.91 | PROKR1 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3IDO1 | |
| SCHEMBL7102502 | 0.86 | IDO1 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3IDO1 | |
| SCHEMBL7102471 | 0.86 | IDO1 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3IDO1 | |
| SCHEMBL7103719 | 0.80 | RIPK1 (0.38) | TLR7 | |
| SCHEMBL7101655 | 0.80 | RIPK1 (0.38) | TLR7 | |
| SCHEMBL7099212 | 0.80 | CHRNA3 (0.54) | CHRNB2CHRNA4CHRNB4CHRNA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | disclosed |