Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SFRP1 | Q8N474 | 11/20 | 0.43 |
| ▸ | WNT3 | P56703 | 10/20 | 0.43 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.42 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.41 |
| ▸ | ITGAL | P20701 | 2/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL696988 | 0.85 | KDM4E (0.51) | HCRTR1HSD11B1SFRP1WNT3RORC | |
| SCHEMBL3723053 | 0.79 | KMT2A (0.48) | HCRTR1KMT2ASFRP1WNT3ITGB2 | |
| SCHEMBL2978178 | 0.78 | HSD11B1 (0.45) | HSD11B1KMT2ASERPINE1ITGB2ICAM1 | |
| SCHEMBL2942230 | 0.77 | HSD11B1 (0.46) | HSD11B1KMT2ASERPINE1ITGB2ICAM1 | |
| SCHEMBL3728863 | 0.77 | HCRTR1 (0.65) | HCRTR1KMT2AMEN1 | |
| SCHEMBL2052714 | 0.75 | HSD11B1 (0.42) | HSD11B1KMT2ASERPINE1ITGB2ICAM1 | |
| SCHEMBL5185239 | 0.73 | HCRTR1 (0.61) | HCRTR1KMT2AMEN1 | |
| SCHEMBL4827893 | 0.72 | CNR2 (0.54) | KMT2ASERPINE1MEN1 | |
| SCHEMBL2569669 | 0.72 | CNR2 (0.54) | KMT2ASERPINE1MEN1 | |
| SCHEMBL2569671 | 0.72 | CNR2 (0.54) | KMT2ASERPINE1MEN1 |
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 |