Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 9/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 3/20 | 0.39 |
| ▸ | CTSB | P07858 | 3/20 | 0.39 |
| ▸ | CTSH | P09668 | 2/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | REN | P00797 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4973031 | 1.00 | CTSK (0.41) | CTSKCTSSCTSLCTSBCTSH | |
| SCHEMBL16215527 | 0.92 | CTSK (0.38) | CTSKCTSSCTSLCTSBCTSH | |
| SCHEMBL7329124 | 0.78 | ALOX5 (0.43) | CTSKCTSSEPHX1 | |
| SCHEMBL4973663 | 0.76 | CTSK (0.40) | CTSKCTSSCTSLCTSBCTSH | |
| SCHEMBL4973665 | 0.76 | CTSK (0.40) | CTSKCTSSCTSLCTSBCTSH | |
| SCHEMBL2713471 | 0.74 | HDAC6 (0.33) | — | |
| SCHEMBL2713474 | 0.74 | HDAC6 (0.33) | — | |
| SCHEMBL14842276 | 0.74 | HDAC6 (0.33) | — | |
| SCHEMBL1864365 | 0.74 | CTSK (0.40) | CTSKCTSSCTSLCTSBCTSH | |
| SCHEMBL499190 | 0.74 | CTSK (0.40) | CTSKCTSSCTSLCTSBCTSH |
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 |