Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.48 |
| ▸ | LOX | P28300 | 1/20 | 0.46 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | ANPEP | P15144 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL696794 | 0.85 | ALDH1A1 (0.48) | ACELOXKLK5SMN1; SMN2ALDH1A1 | |
| SCHEMBL695669 | 0.80 | POLB (0.46) | ACELOXKLK5SMN1; SMN2POLB | |
| SCHEMBL696406 | 0.77 | ALDH1A1 (0.48) | ACELOXKLK5SMN1; SMN2ALDH1A1 | |
| SCHEMBL6639156 | 0.77 | ACE (0.59) | ACEKLK5ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL10509005 | 0.77 | ACE (0.59) | ACEKLK5ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL697248 | 0.76 | LMNA (0.45) | ACELOXKLK5SMN1; SMN2POLB | |
| SCHEMBL695737 | 0.76 | ALDH1A1 (0.51) | ACELOXKLK5SMN1; SMN2ALDH1A1 | |
| SCHEMBL696072 | 0.76 | EPHX2 (0.42) | ACELOXKLK5SMN1; SMN2ALDH1A1 | |
| SCHEMBL10508467 | 0.75 | ACE (0.62) | ACEKLK5SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL10508472 | 0.75 | ACE (0.62) | ACEKLK5SMN1; SMN2ALDH1A1RAB9A |
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 |