Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | LOX | P28300 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
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 | 0.87 | EPHX2 (0.42) | ALDH1A1P2RX7EPHX2GAAPIK3CA | |
| SCHEMBL696794 | 0.86 | ALDH1A1 (0.48) | ALDH1A1LOXLMNARAB9ASMN1; SMN2 | |
| SCHEMBL695737 | 0.79 | ALDH1A1 (0.51) | ALDH1A1GAAHCRTR2PIK3CALOX | |
| SCHEMBL30546762 | 0.79 | P2RX7 (0.61) | ALDH1A1P2RX7GAASMN1; SMN2PKM | |
| SCHEMBL30546740 | 0.79 | P2RX7 (0.61) | ALDH1A1P2RX7GAASMN1; SMN2PKM | |
| SCHEMBL695502 | 0.77 | ACE (0.48) | ALDH1A1LOXLMNARAB9ASMN1; SMN2 | |
| SCHEMBL695669 | 0.74 | POLB (0.46) | ALDH1A1LOXLMNARAB9ASMN1; SMN2 | |
| SCHEMBL697293 | 0.73 | P2RX7 (0.45) | P2RX7EPHX2TAAR1ACE | |
| SCHEMBL22315272 | 0.70 | TLR4 (0.48) | ALDH1A1P2RX7EPHX2HCRTR2LMNA | |
| SCHEMBL697248 | 0.70 | LMNA (0.45) | ALDH1A1LOXLMNARAB9ASMN1; SMN2 |
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 |