Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 3/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | OXTR | P30559 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL10371015 | 1.00 | CHRNB4 (0.39) | CHRNB4CHRNA3NISCHCHRNB2CHRNA4 | |
| SCHEMBL10371016 | 1.00 | CHRNB4 (0.39) | CHRNB4CHRNA3NISCHCHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL10977838 | 0.98 | CHRNB4 (0.38) | CHRNB4CHRNA3NISCHCHRNB2CHRNA4 | |
| SCHEMBL11959914 | 0.85 | HTR6 (0.43) | NISCHHTR6 | |
| SCHEMBL18204707 | 0.79 | HTR6 (0.42) | CHRNB4CHRNA3HTR6 | |
| Hydrochloric Acid SCHEMBL18204598 | 0.78 | HTR6 (0.44) | CHRNB4CHRNA3HTR6 | |
| SCHEMBL10375109 | 0.76 | AHR (0.40) | HTR6 | |
| SCHEMBL10375117 | 0.76 | BRD4 (0.36) | CHRNB4CHRNA3CHRNB2CHRNA4HTR6 | |
| SCHEMBL10509903 | 0.76 | CHRM2 (0.45) | NISCHCHRNB2CHRNA4OXTR | |
| Fluparoxan SCHEMBL7173629 | 0.76 | SLC6A2 (0.38) | CHRNB2CHRNA4HTR6 |
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-4496579-A | AMINATION WITH AMMONIA OR PRIMARY AMINE; ANTIDEPRESANT | GLAXO GROUP LIMITED (GB) | 1985-01-29 | — | — | US | claimed |
| EP-0221725-B1 | PROCESS FOR PREPARING HETEROCYCLIC COMPOUNDS | GLAXO GROUP LIMITED (GB) | 1990-08-08 | — | — | EP | disclosed |
| US-4496579-A | AMINATION WITH AMMONIA OR PRIMARY AMINE; ANTIDEPRESANT | GLAXO GROUP LIMITED (GB) | 1985-01-29 | — | — | US | disclosed |