Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 8/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.31 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL695659 | 0.90 | CTSS (0.43) | CTSS | |
| SCHEMBL695639 | 0.82 | CTSS (0.39) | CTSS | |
| SCHEMBL699205 | 0.79 | CTSS (0.44) | CTSS | |
| SCHEMBL695262 | 0.79 | CTSS (0.44) | CTSS | |
| SCHEMBL694301 | 0.77 | CTSS (0.41) | CTSS | |
| SCHEMBL694732 | 0.76 | CTSS (0.41) | CTSSHSD11B1 | |
| SCHEMBL696780 | 0.75 | CTSS (0.40) | CTSS | |
| SCHEMBL696596 | 0.74 | LGMN (0.33) | CTSSNOTUM | |
| SCHEMBL695487 | 0.73 | CTSS (0.44) | CTSS | |
| Hydrochloric Acid SCHEMBL695250 | 0.72 | CTSS (0.43) | CTSS |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | claimed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | claimed |
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |