Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL7434479 | 0.84 | ROCK2 (0.42) | SLC6A2SLC6A4SLC6A3ROCK2JAK3 | |
| SCHEMBL6565786 | 0.80 | CTSS (0.37) | SLC6A2SLC6A4SLC6A3CTSLCTSB | |
| SCHEMBL6565016 | 0.74 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6565039 | 0.73 | CTSS (0.46) | CTSLCTSBCTSSCTSK | |
| SCHEMBL6563700 | 0.72 | CTSL (0.38) | CTSLCTSBCTSSCTSK | |
| SCHEMBL3894952 | 0.70 | CTSL (0.54) | CTSLCTSBCTSSCTSK | |
| SCHEMBL3892419 | 0.70 | CTSL (0.37) | CTSLCTSBCTSSCTSKJAK3 | |
| SCHEMBL6565502 | 0.69 | CTSL (0.40) | CTSLCTSBCTSSCTSK | |
| SCHEMBL6565014 | 0.69 | CTSL (0.38) | CTSLCTSBCTSSCTSK | |
| SCHEMBL7435732 | 0.68 | CTSL (0.41) | CTSLCTSBCTSSCTSK |
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-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |