Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 3/20 | 0.43 |
| ▸ | ACACB | O00763 | 2/20 | 0.43 |
| ▸ | F10 | P00742 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7847207 | 0.95 | ACHE (0.49) | LMNAITGB3ITGA2BHRH3CYP2D6 | |
| SCHEMBL7837933 | 0.89 | HRH3 (0.48) | LMNAITGB3ITGA2BHRH3CYP2D6 | |
| SCHEMBL7838157 | 0.89 | HRH3 (0.44) | LMNAITGB3ITGA2BHRH3CYP2D6 | |
| SCHEMBL7849351 | 0.85 | HRH3 (0.55) | ITGB3ITGA2BHRH3CYP2D6ACHE | |
| Hydrochloric Acid SCHEMBL7846296 | 0.85 | CXCR4 (0.53) | HRH3CYP2D6ACHEBCHEMAOA | |
| SCHEMBL7857235 | 0.82 | GPR119 (0.53) | ACACB | |
| Hydrochloric Acid SCHEMBL7848599 | 0.81 | MAOA (0.53) | HRH3ACHEBCHEMAOAMAOB | |
| SCHEMBL7846285 | 0.81 | HRH3 (0.54) | ITGB3ITGA2BHRH3CYP2D6ACHE | |
| Hydrochloric Acid SCHEMBL7838260 | 0.80 | HRH3 (0.50) | HRH3ACHEBCHEMAOAMAOB | |
| Hydrochloric Acid SCHEMBL7847077 | 0.80 | ACHE (0.47) | HRH3ACHEBCHEMAOAMAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | disclosed |