Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 8/20 | 0.42 |
| ▸ | CTSL | P07711 | 5/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.38 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.38 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.38 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.37 |
| ▸ | SLC16A1 | P53985 | 2/20 | 0.37 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL695116 | 1.00 | AGTR2 (0.46) | AGTR2CTSSCTSLCTSKALDH1A1 | |
| SCHEMBL696363 | 0.90 | CTSS (0.49) | AGTR2CTSSCTSLCTSKKCNJ6 | |
| SCHEMBL696364 | 0.90 | CTSS (0.49) | AGTR2CTSSCTSLCTSKKCNJ6 | |
| SCHEMBL697022 | 0.87 | CTSS (0.57) | CTSSCTSLCTSK | |
| SCHEMBL696224 | 0.85 | CTSS (0.47) | AGTR2CTSSCTSLCTSKMAPT | |
| SCHEMBL694624 | 0.84 | CTSS (0.52) | AGTR2CTSSCTSLCTSKKCNJ6 | |
| SCHEMBL694625 | 0.84 | CTSS (0.52) | AGTR2CTSSCTSLCTSKKCNJ6 | |
| SCHEMBL694626 | 0.84 | CTSS (0.52) | AGTR2CTSSCTSLCTSKKCNJ6 | |
| SCHEMBL695102 | 0.84 | CTSS (0.44) | AGTR2CTSSCTSLCTSKKCNJ6 | |
| SCHEMBL695103 | 0.84 | CTSS (0.44) | AGTR2CTSSCTSLCTSKKCNJ6 |
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 |