Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | ULK1 | O75385 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 2/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 3/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | WNT3 | P56703 | 1/20 | 0.33 |
| ▸ | SFRP1 | Q8N474 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL697408 | 0.86 | CNR2 (0.39) | EPHX2CTSLCTSBCTSSCTSK | |
| SCHEMBL697628 | 0.84 | CTSL (0.38) | EPHX2CTSLCTSBCTSSCTSK | |
| SCHEMBL696415 | 0.78 | CTSL (0.42) | CTSLCTSBCTSSCTSKPIK3CD | |
| SCHEMBL696806 | 0.76 | HSD11B1 (0.43) | EPHX2PIK3CDPIK3CAPIK3CGHSD11B1 | |
| SCHEMBL696084 | 0.75 | P2RX7 (0.40) | EPHX2CTSLCTSBCTSSCTSK | |
| SCHEMBL696119 | 0.75 | HSD11B1 (0.41) | EPHX2CTSLCTSBCTSSCTSK | |
| SCHEMBL696378 | 0.70 | CTSS (0.55) | EPHX2CTSLCTSBCTSSCTSK | |
| SCHEMBL2106044 | 0.70 | CTSS (0.55) | EPHX2CTSLCTSBCTSSCTSK | |
| SCHEMBL695190 | 0.69 | HCRTR1 (0.39) | CTSSFPR2HCRTR1MCHR1 | |
| SCHEMBL697149 | 0.69 | CTSL (0.41) | CTSLCTSBCTSSCTSKPIK3CD |
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 |