Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | ACE | P12821 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL697393 | 0.91 | P2RX7 (0.43) | P2RX7ACETHRBALOX12KMT2A | |
| SCHEMBL696508 | 0.77 | ACE (0.44) | ACE | |
| SCHEMBL26124183 | 0.74 | P2RX7 (0.59) | P2RX7ACETHRBALOX12KMT2A | |
| SCHEMBL26124386 | 0.74 | P2RX7 (0.59) | P2RX7ACETHRBALOX12KMT2A | |
| SCHEMBL3717614 | 0.73 | MMP8 (0.53) | THRBALOX12KMT2AEPHX2 | |
| SCHEMBL696406 | 0.73 | ALDH1A1 (0.48) | P2RX7ACETAAR1EPHX2 | |
| SCHEMBL3718817 | 0.73 | ACE (0.40) | ACE | |
| SCHEMBL3716347 | 0.70 | ACE (0.49) | ACE | |
| SCHEMBL3719499 | 0.68 | ACE (0.45) | ACE | |
| SCHEMBL3718279 | 0.68 | ITGB1 (0.40) | KMT2ADPP4 |
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 |