Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 5/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.33 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL694889 | 0.91 | P2RX7 (0.40) | P2RX7EPHX2IDO1TDO2CTSL | |
| SCHEMBL696304 | 0.88 | FKBP1A (0.39) | SCN9ACTSSADORA2AADORA1FKBP1A | |
| SCHEMBL695533 | 0.85 | OPRM1 (0.41) | EPHX2CTSSFKBP1A | |
| SCHEMBL3725935 | 0.84 | P2RX7 (0.43) | P2RX7EPHX2 | |
| SCHEMBL697628 | 0.83 | CTSL (0.38) | P2RX7SCN9AFPR2EPHX2IDO1 | |
| SCHEMBL697204 | 0.82 | KEAP1 (0.37) | HCRTR1HCRTR2 | |
| SCHEMBL695720 | 0.82 | CTSS (0.37) | P2RX7SCN9ACTSSADORA2AADORA1 | |
| SCHEMBL696415 | 0.81 | CTSL (0.42) | SCN9AFPR2CTSLCTSBCTSS | |
| SCHEMBL3719493 | 0.79 | CTSS (0.37) | CTSS | |
| SCHEMBL694457 | 0.78 | AADAT (0.36) | CTSS |
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 |