Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 1/20 | 0.50 |
| ▸ | GPR88 | Q9GZN0 | 8/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3379296 | 1.00 | CTSS (0.50) | CTSSCTSKGPR88LMNAITGB3 | |
| SCHEMBL3379292 | 1.00 | CTSS (0.50) | CTSSCTSKGPR88LMNAITGB3 | |
| SCHEMBL3379286 | 1.00 | CTSS (0.50) | CTSSCTSKGPR88LMNAITGB3 | |
| SCHEMBL1554766 | 0.88 | GPR88 (0.54) | CTSSCTSKGPR88 | |
| SCHEMBL1554764 | 0.88 | GPR88 (0.54) | CTSSCTSKGPR88 | |
| SCHEMBL1554765 | 0.88 | GPR88 (0.54) | CTSSCTSKGPR88 | |
| SCHEMBL2500015 | 0.88 | GPR88 (0.54) | CTSSCTSKGPR88 | |
| SCHEMBL1584437 | 0.86 | GPR88 (0.65) | GPR88 | |
| SCHEMBL3377050 | 0.86 | CTSS (0.53) | CTSSCTSKGPR88LMNAITGB3 | |
| SCHEMBL3377047 | 0.86 | CTSS (0.53) | CTSSCTSKGPR88LMNAITGB3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1989186-A1 | HYDANTOIN BASED KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-12 | — | — | EP | disclosed |
| WO-2008101840-A1 | COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-08-28 | — | — | WO | disclosed |
| WO-2007096259-A1 | HYDANTOIN BASED KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-30 | — | — | WO | disclosed |