Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | PEPD | P12955 | 1/20 | 0.39 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.37 |
| ▸ | LOX | P28300 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL696072 | 0.91 | EPHX2 (0.42) | ALDH1A1PEPDFKBP1ALMNARAB9A | |
| SCHEMBL696406 | 0.79 | ALDH1A1 (0.48) | ALDH1A1LMNARAB9ASMN1; SMN2KLK5 | |
| SCHEMBL696794 | 0.77 | ALDH1A1 (0.48) | ALDH1A1FKBP1ALMNARAB9ASMN1; SMN2 | |
| SCHEMBL695502 | 0.76 | ACE (0.48) | ALDH1A1FKBP1ALMNARAB9ASMN1; SMN2 | |
| SCHEMBL695669 | 0.73 | POLB (0.46) | ALDH1A1PEPDFKBP1ALMNARAB9A | |
| SCHEMBL695736 | 0.72 | CTSS (0.43) | CTSLCTSBCTSSCTSK | |
| SCHEMBL2106100 | 0.72 | CTSS (0.43) | CTSLCTSBCTSSCTSK | |
| SCHEMBL21883044 | 0.70 | ALDH1A1 (0.62) | ALDH1A1FKBP1ASMN1; SMN2KLK5ACE | |
| SCHEMBL5717109 | 0.69 | KDM4E (0.51) | ALDH1A1FKBP1ALMNASMN1; SMN2HCRTR1 | |
| SCHEMBL697248 | 0.69 | LMNA (0.45) | ALDH1A1PEPDFKBP1ALMNARAB9A |
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 |