Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 8/20 | 0.37 |
| ▸ | CTSL | P07711 | 4/20 | 0.37 |
| ▸ | CTSB | P07858 | 4/20 | 0.37 |
| ▸ | CTSH | P09668 | 3/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4972999 | 0.84 | — | — | |
| SCHEMBL4079760 | 0.84 | — | — | |
| SCHEMBL4973665 | 0.81 | CTSK (0.40) | NPY5RCTSKCTSLCTSBCTSH | |
| SCHEMBL4973663 | 0.81 | CTSK (0.40) | NPY5RCTSKCTSLCTSBCTSH | |
| SCHEMBL3601893 | 0.69 | NPY5R (0.40) | NPY5RCTSKCTSLCTSBCTSH | |
| SCHEMBL27844619 | 0.66 | CTSK (0.32) | CTSKCTSLCTSBATMPSMB5 | |
| Hydrochloric Acid SCHEMBL27322181 | 0.65 | CTSK (0.34) | CTSKCTSLCTSB | |
| SCHEMBL11350142 | 0.65 | NPY5R (0.45) | NPY5RCTSKCTSLCTSBCTSH | |
| SCHEMBL26073225 | 0.65 | NPY5R (0.45) | NPY5RCTSKCTSLCTSBCTSH | |
| SCHEMBL19817250 | 0.64 | LTA4H (0.46) | CTSKCTSLCTSBLTA4H |
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 |