Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL5727934 | 0.94 | ACHE (0.45) | ACHEMAOAMAOB | |
| SCHEMBL3920848 | 0.84 | — | — | |
| SCHEMBL3910264 | 0.81 | MAOB (0.43) | ACHEMAOAMAOB | |
| Trifluoroacetic Acid SCHEMBL3918872 | 0.77 | MRGPRX4 (0.44) | — | |
| SCHEMBL3911254 | 0.76 | KCNA3 (0.49) | MAOB | |
| Trifluoroacetic Acid SCHEMBL3910245 | 0.73 | MCL1 (0.42) | ACHEMAOAMAOB | |
| SCHEMBL3920121 | 0.73 | KCNA3 (0.51) | ACHEMAOB | |
| SCHEMBL13840577 | 0.73 | PKM (0.54) | MAOAMAOB | |
| SCHEMBL3914736 | 0.72 | KCNA3 (0.50) | ACHEMAOB | |
| SCHEMBL3915228 | 0.70 | KCNA3 (0.47) | MAOB |
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-1667988-A1 | COUMARINS AS INOS INHIBITORS | Aventis Pharmaceuticals Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005026143-A1 | COUMARINS AS INOS INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2005-03-24 | — | — | WO | disclosed |