Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 6/20 | 0.60 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.60 |
| ▸ | MAOB | P27338 | 9/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4420448 | 0.81 | ITGB3 (0.68) | ITGB3ITGA2BMAOBMAOA | |
| SCHEMBL4415989 | 0.81 | ITGB3 (0.58) | ITGB3ITGA2BMAOBPARP10MAOA | |
| SCHEMBL3504635 | 0.79 | ITGB3 (0.51) | ITGB3ITGA2BMAOBPARP10MAOA | |
| SCHEMBL3504305 | 0.79 | ITGB3 (0.51) | ITGB3ITGA2BMAOBPARP10MAOA | |
| SCHEMBL3504303 | 0.79 | ITGB3 (0.51) | ITGB3ITGA2BMAOBPARP10MAOA | |
| SCHEMBL5617917 | 0.78 | ITGB3 (0.66) | ITGB3ITGA2BMAOBPARP10MAOA | |
| SCHEMBL6450948 | 0.76 | MAOB (0.53) | ITGB3ITGA2BMAOBPARP10MAOA | |
| SCHEMBL3506839 | 0.74 | ITGB3 (0.66) | ITGB3ITGA2BMAOBPARP10MAOA | |
| SCHEMBL7170082 | 0.73 | SMN1; SMN2 (0.50) | MAOBPARP10MAOANPC1RAB9A | |
| SCHEMBL4426050 | 0.72 | ITGB3 (0.69) | ITGB3ITGA2BMAOBMAOA |
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-1501804-B1 | ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-08-26 | — | — | EP | disclosed |