Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 12/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL484566 | 0.90 | MAOA (0.41) | MAOAMAOBACHEDRD3WDR5 | |
| SCHEMBL784661 | 0.83 | ACHE (0.57) | MAOAMAOBACHEDRD3BCHE | |
| SCHEMBL784930 | 0.81 | WDR5 (0.43) | ACHEDRD3WDR5PDE4APDE4B | |
| SCHEMBL784931 | 0.81 | WDR5 (0.43) | ACHEDRD3WDR5PDE4APDE4B | |
| SCHEMBL784108 | 0.81 | MAOA (0.45) | MAOAMAOBACHEDRD3BCHE | |
| SCHEMBL484717 | 0.79 | CHRNB2 (0.46) | MAOAMAOBACHEBCHE | |
| SCHEMBL484719 | 0.79 | CHRNB2 (0.46) | MAOAMAOBACHEBCHE | |
| SCHEMBL484852 | 0.78 | ACHE (0.54) | MAOAMAOBACHEDRD3PDE4A | |
| SCHEMBL484623 | 0.78 | HTR1A (0.43) | DRD3WDR5TBXA2RPDE4APDE4B | |
| SCHEMBL784704 | 0.78 | TAS1R3 (0.45) | ACHEDRD3WDR5TBXA2RPDE4A |
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-2619178-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |