Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15327102 | 1.00 | SMO (0.36) | SMOFFAR4CHRM1AGTR2ALDH1A1 | |
| SCHEMBL696580 | 1.00 | SMO (0.36) | SMOFFAR4CHRM1AGTR2ALDH1A1 | |
| SCHEMBL696814 | 0.91 | SMO (0.35) | SMOCHRM1 | |
| SCHEMBL696813 | 0.91 | SMO (0.35) | SMOCHRM1 | |
| SCHEMBL696812 | 0.91 | SMO (0.35) | SMOCHRM1 | |
| SCHEMBL695912 | 0.87 | CHRM1 (0.33) | FFAR4CHRM1AGTR2ALDH1A1L3MBTL1 | |
| SCHEMBL695913 | 0.87 | CHRM1 (0.33) | FFAR4CHRM1AGTR2ALDH1A1L3MBTL1 | |
| SCHEMBL695125 | 0.84 | CTSS (0.43) | — | |
| SCHEMBL695742 | 0.84 | CTSS (0.37) | FFAR4CHRM1AGTR2ALDH1A1 | |
| SCHEMBL15327758 | 0.82 | CRHR1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421826-B1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-10-23 | — | — | EP | disclosed |
| 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 |