Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 8/20 | 0.41 |
| ▸ | REN | P00797 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PEPD | P12955 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3718279 | 0.88 | ITGB1 (0.40) | NPSR1ALDH1A1ITGB1ITGA4CTSS | |
| SCHEMBL3716347 | 0.83 | ACE (0.49) | ACERENLMNAKDM4EF2 | |
| SCHEMBL3718797 | 0.79 | ACE (0.51) | ACERENLMNAKDM4EF2 | |
| SCHEMBL3723409 | 0.76 | CTSS (0.41) | NPSR1ALDH1A1ITGB1ITGA4CTSS | |
| SCHEMBL3065367 | 0.74 | CTSS (0.51) | CTSS | |
| SCHEMBL3060617 | 0.71 | CTSS (0.50) | CTSS | |
| SCHEMBL3718817 | 0.71 | ACE (0.40) | ACERENALDH1A1 | |
| SCHEMBL3065890 | 0.70 | CTSS (0.52) | CTSS | |
| SCHEMBL24668844 | 0.69 | ACE (0.52) | ACERENLMNAKDM4EF2 | |
| SCHEMBL3067366 | 0.68 | CTSS (0.53) | ITGB1ITGA4CTSS |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |