Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | REN | P00797 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3615804 | 1.00 | CNR2 (0.32) | CNR2RENCYP3A4FEN1NAMPT | |
| SCHEMBL2996749 | 1.00 | CNR2 (0.32) | CNR2RENCYP3A4FEN1NAMPT | |
| SCHEMBL3615805 | 1.00 | CNR2 (0.32) | CNR2RENCYP3A4FEN1NAMPT | |
| SCHEMBL26126004 | 1.00 | CNR2 (0.32) | CNR2RENCYP3A4FEN1NAMPT | |
| SCHEMBL3604264 | 0.95 | CNR2 (0.32) | CNR2 | |
| SCHEMBL3619395 | 0.91 | — | — | |
| SCHEMBL3619393 | 0.91 | — | — | |
| SCHEMBL4071173 | 0.87 | CYP2D6 (0.33) | RENFEN1 | |
| SCHEMBL2027347 | 0.87 | CYP2D6 (0.33) | RENFEN1 | |
| SCHEMBL2330185 | 0.84 | REN (0.40) | RENCYP3A4 |
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-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |