Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4556281 | 0.78 | CYP1A2 (0.40) | CYP1A2 | |
| SCHEMBL25625850 | 0.75 | HTR2A (0.36) | CYP1A2NOS3NOS2MKNK1 | |
| Hydrochloric Acid SCHEMBL31644306 | 0.73 | HTR2A (0.35) | CYP1A2NOS3NOS2 | |
| SCHEMBL4903339 | 0.72 | NOS2 (0.56) | NOS3NOS2 | |
| SCHEMBL28970115 | 0.66 | AURKB (0.46) | MKNK1 | |
| SCHEMBL2806533 | 0.65 | LRRK2 (0.38) | CYP1A2MKNK1 | |
| Trifluoroacetic Acid SCHEMBL31644166 | 0.63 | HRH4 (0.36) | CYP1A2 | |
| SCHEMBL17032341 | 0.62 | CCR1 (0.41) | NOS3NOS2 | |
| SCHEMBL30611380 | 0.62 | CYP1A2 (0.35) | CYP1A2MKNK1 | |
| SCHEMBL27958406 | 0.62 | CYP1A2 (0.35) | CYP1A2MKNK1 |
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-2125757-A1 | MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS | Novartis AG (CH) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008101665-A1 | MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS | NOVARTIS AG (CH) | 2008-08-28 | — | — | WO | disclosed |