Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | LOX | P28300 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL696406 | 0.86 | ALDH1A1 (0.48) | ALDH1A1KLK5ACELMNALOX | |
| SCHEMBL695502 | 0.85 | ACE (0.48) | ALDH1A1KLK5ACEMAPK1L3MBTL1 | |
| SCHEMBL695669 | 0.77 | POLB (0.46) | ALDH1A1KLK5ACEMAPK1L3MBTL1 | |
| SCHEMBL696072 | 0.77 | EPHX2 (0.42) | ALDH1A1KLK5ACELMNALOX | |
| SCHEMBL695737 | 0.77 | ALDH1A1 (0.51) | ALDH1A1KLK5ACEMAPK1L3MBTL1 | |
| SCHEMBL9727517 | 0.75 | ALDH1A1 (0.55) | ALDH1A1KLK5ACEMAPK1L3MBTL1 | |
| SCHEMBL697248 | 0.73 | LMNA (0.45) | ALDH1A1KLK5ACEMAPK1L3MBTL1 | |
| SCHEMBL9727327 | 0.72 | ALDH1A1 (0.54) | ALDH1A1KLK5ACEMAPK1L3MBTL1 | |
| SCHEMBL13041433 | 0.71 | FKBP1A (0.51) | ALDH1A1KLK5ACEMAPK1L3MBTL1 | |
| SCHEMBL6639156 | 0.71 | ACE (0.59) | ALDH1A1KLK5ACEMAPK1L3MBTL1 |
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 |