Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 7/20 | 0.45 |
| ▸ | CTSL | P07711 | 4/20 | 0.45 |
| ▸ | CTSK | P43235 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6689771 | 0.94 | CTSS (0.44) | CTSSCTSLCTSKCYP1A2CYP2C19 | |
| SCHEMBL6694457 | 0.94 | CTSS (0.46) | CTSSCTSLCTSKCYP1A2CYP2C19 | |
| SCHEMBL4800442 | 0.88 | CTSS (0.51) | CTSSCTSLCTSKCYP1A2CYP2C19 | |
| SCHEMBL6685724 | 0.86 | CTSS (0.50) | CTSSCTSLCTSKCYP1A2CYP2C19 | |
| SCHEMBL6688015 | 0.85 | CTSS (0.52) | CTSSCTSLCTSKCYP1A2CYP2C19 | |
| SCHEMBL4796175 | 0.84 | CTSS (0.49) | CTSSCTSLCTSKCYP1A2CYP2C19 | |
| SCHEMBL4800654 | 0.82 | CTSS (0.52) | CTSSCTSLCTSKCYP1A2CYP2C19 | |
| SCHEMBL4798178 | 0.82 | CTSS (0.53) | CTSSCTSLCTSKCYP1A2CYP2C19 | |
| SCHEMBL4801040 | 0.81 | CTSS (0.57) | CTSSCTSLCTSKCYP1A2CYP2C19 | |
| SCHEMBL4801431 | 0.80 | CTSS (0.61) | CTSSCTSLCTSKCYP1A2CYP2C19 |
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 |