Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.30 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4556280 | 0.78 | CYP1A2 (0.38) | CYP1A2 | |
| SCHEMBL28970115 | 0.73 | AURKB (0.46) | — | |
| SCHEMBL25625850 | 0.67 | HTR2A (0.36) | CYP1A2 | |
| Hydrochloric Acid SCHEMBL31644306 | 0.65 | HTR2A (0.35) | CYP1A2 | |
| SCHEMBL18599128 | 0.63 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL3411218 | 0.63 | CYP2A6 (0.32) | CYP1A2 | |
| SCHEMBL30775181 | 0.62 | CCNC (0.36) | CYP1A2GRM4 | |
| SCHEMBL25678467 | 0.62 | CYP1A2 (0.36) | CYP1A2 | |
| SCHEMBL30775411 | 0.62 | PRCP (0.44) | CYP1A2GRM4 | |
| SCHEMBL19357887 | 0.61 | CYP1A2 (0.35) | CYP1A2 |
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 |