Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 13/20 | 0.37 |
| ▸ | CTSL | P07711 | 13/20 | 0.37 |
| ▸ | CTSB | P07858 | 13/20 | 0.37 |
| ▸ | CTSK | P43235 | 12/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | SLC27A1 | Q6PCB7 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL4702624 | 0.89 | RORC (0.40) | CTSSCTSLCTSBCTSK | |
| SCHEMBL4703732 | 0.88 | ME2 (0.43) | CTSSCTSLCTSBCTSKGAA | |
| SCHEMBL4704763 | 0.88 | CTSS (0.43) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6235527 | 0.88 | CTSL (0.44) | CTSSCTSLCTSBCTSK | |
| SCHEMBL4698852 | 0.81 | CTSK (0.39) | CTSSCTSLCTSBCTSK | |
| SCHEMBL4700965 | 0.80 | BRD4 (0.36) | CTSB | |
| SCHEMBL4699954 | 0.79 | CTSL (0.37) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL4701237 | 0.76 | CTSS (0.36) | CTSSCTSLCTSBCTSK | |
| SCHEMBL4703010 | 0.76 | CTSS (0.37) | CTSSCTSLCTSBCTSK | |
| SCHEMBL4699979 | 0.76 | CTSS (0.44) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1372655-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-10-01 | — | — | EP | disclosed |