Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | CTSL | P07711 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 13/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 13/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
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 | 0.82 | ROCK2 (0.42) | JAK3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6563698 | 0.80 | SLC6A2 (0.40) | CTSSCTSLCTSBCTSKJAK3 | |
| SCHEMBL6565016 | 0.77 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL6565039 | 0.76 | CTSS (0.46) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3894952 | 0.74 | CTSL (0.54) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3894949 | 0.71 | CTSS (0.56) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6567023 | 0.71 | CTSL (0.42) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6565853 | 0.71 | CTSL (0.42) | CTSSCTSLCTSBCTSK | |
| SCHEMBL7310650 | 0.71 | ALDH1A1 (0.51) | — | |
| SCHEMBL7441330 | 0.71 | CTSL (0.41) | CTSSCTSLCTSBCTSK |
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 |