Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.43 |
| ▸ | CTSB | P07858 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | KCNJ6 | P48051 | 12/20 | 0.34 |
| ▸ | KCNJ3 | P48549 | 12/20 | 0.34 |
| ▸ | KCNJ5 | P48544 | 10/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL695906 | 1.00 | CTSS (0.43) | CTSSCTSLCTSBCTSKKCNJ6 | |
| SCHEMBL695908 | 1.00 | CTSS (0.43) | CTSSCTSLCTSBCTSKKCNJ6 | |
| SCHEMBL696483 | 0.90 | CTSL (0.43) | CTSSCTSLCTSBCTSKKCNJ6 | |
| SCHEMBL696484 | 0.90 | CTSL (0.43) | CTSSCTSLCTSBCTSKKCNJ6 | |
| SCHEMBL2609235 | 0.83 | CTSS (0.42) | CTSSCTSLCTSBCTSK | |
| SCHEMBL2106768 | 0.82 | SMN1; SMN2 (0.35) | CTSSCTSLCTSBCTSKKCNJ6 | |
| SCHEMBL696235 | 0.82 | SMN1; SMN2 (0.35) | CTSSCTSLCTSBCTSKKCNJ6 | |
| SCHEMBL697523 | 0.81 | AGTR2 (0.43) | CTSSKCNJ6KCNJ3KCNJ5ALDH1A1 | |
| SCHEMBL697524 | 0.81 | AGTR2 (0.43) | CTSSKCNJ6KCNJ3KCNJ5ALDH1A1 | |
| SCHEMBL697525 | 0.81 | AGTR2 (0.43) | CTSSKCNJ6KCNJ3KCNJ5ALDH1A1 |
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 2 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 | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |