Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CTSK | P43235 | 12/20 | 0.47 |
| ▸ | CTSL | P07711 | 11/20 | 0.47 |
| ▸ | CTSS | P25774 | 11/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | HPN | P05981 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5499714 | 0.99 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2CTSKCTSLCTSS | |
| SCHEMBL6690323 | 0.88 | CTSS (0.40) | ALDH1A1SMN1; SMN2CTSKCTSLCTSS | |
| SCHEMBL6693994 | 0.87 | CTSS (0.42) | ALDH1A1SMN1; SMN2CTSKCTSLCTSS | |
| SCHEMBL6686976 | 0.83 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2CTSKCTSLCTSS | |
| SCHEMBL5499131 | 0.82 | CTSS (0.57) | ALDH1A1SMN1; SMN2CTSKCTSLCTSS | |
| SCHEMBL4801081 | 0.81 | CTSS (0.56) | CTSKCTSLCTSSEPHX2 | |
| SCHEMBL3014757 | 0.81 | CTSS (0.56) | CTSKCTSLCTSSEPHX2 | |
| SCHEMBL3020740 | 0.80 | CTSS (0.55) | CTSKCTSLCTSSEPHX2 | |
| SCHEMBL6689442 | 0.76 | CTSL (0.52) | ALDH1A1SMN1; SMN2CTSKCTSLCTSS | |
| SCHEMBL6693529 | 0.76 | TP53 (0.48) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |