Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.52 |
| ▸ | HRH4 | Q9H3N8 | 9/20 | 0.49 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.46 |
| ▸ | CDC42BPB | Q9Y5S2 | 5/20 | 0.46 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4828913 | 1.00 | CHRNB2 (0.52) | CHRNB2CHRNA4HRH4DOT1LROCK2 | |
| SCHEMBL23108626 | 0.84 | HRH4 (0.53) | HRH4DOT1LROCK2ROCK1CDC42BPB | |
| SCHEMBL24746253 | 0.84 | HRH4 (0.53) | HRH4DOT1LROCK2ROCK1CDC42BPB | |
| SCHEMBL23504191 | 0.84 | HRH4 (0.53) | HRH4DOT1LROCK2ROCK1CDC42BPB | |
| SCHEMBL4827822 | 0.83 | CHRNB2 (0.51) | CHRNB2CHRNA4HRH4DOT1L | |
| SCHEMBL4822898 | 0.83 | CHRNB2 (0.51) | CHRNB2CHRNA4HRH4DOT1L | |
| Hydrochloric Acid SCHEMBL4820692 | 0.82 | CHRNB2 (0.50) | CHRNB2CHRNA4HRH4DOT1L | |
| Hydrochloric Acid SCHEMBL4823896 | 0.82 | CHRNB2 (0.50) | CHRNB2CHRNA4HRH4DOT1L | |
| SCHEMBL25375092 | 0.81 | CHRNB2 (0.48) | CHRNB2CHRNA4 | |
| SCHEMBL25147353 | 0.81 | HRH4 (0.50) | HRH4DOT1LROCK2ROCK1CDC42BPB |
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 |
|---|---|---|---|---|---|---|---|
| US-7332504-B2 | Heterocyclic substituted aminoazacycles useful as central nervous system agents | ABBOTT LABORATORIES (US) | 2008-02-19 | — | — | US | claimed |
| US-7332504-B2 | Heterocyclic substituted aminoazacycles useful as central nervous system agents | ABBOTT LABORATORIES (US) | 2008-02-19 | — | — | US | disclosed |