Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 5/20 | 0.38 |
| ▸ | CTSS | P25774 | 4/20 | 0.37 |
| ▸ | CTSK | P43235 | 3/20 | 0.37 |
| ▸ | PPM1D | O15297 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL3594507 | 1.00 | CNR2 (0.38) | CNR2CTSSCTSKPPM1DCTSL | |
| SCHEMBL3616378 | 0.87 | CTSK (0.50) | CNR2CTSSCTSK | |
| SCHEMBL3616375 | 0.87 | CTSK (0.50) | CNR2CTSSCTSK | |
| SCHEMBL5512052 | 0.81 | PPM1D (0.33) | CTSSCTSKPPM1D | |
| SCHEMBL1867461 | 0.81 | PPM1D (0.33) | CTSSCTSKPPM1D | |
| SCHEMBL490133 | 0.80 | PPM1D (0.32) | CTSSCTSKPPM1D | |
| SCHEMBL1867802 | 0.78 | CTSS (0.31) | CTSSCTSKPPM1D | |
| SCHEMBL490235 | 0.78 | CA1 (0.31) | — | |
| SCHEMBL1864251 | 0.77 | PPM1D (0.30) | PPM1D | |
| SCHEMBL490242 | 0.77 | — | — |
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 |