Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 13/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2106619 | 1.00 | CTSS (0.39) | CTSSMMP2ANPEPADAM17CYP3A4 | |
| SCHEMBL695742 | 0.91 | CTSS (0.37) | CTSSADAM17TSHRALDH1A1 | |
| SCHEMBL2104296 | 0.91 | CTSS (0.49) | CTSS | |
| SCHEMBL694847 | 0.91 | CTSS (0.49) | CTSS | |
| SCHEMBL694937 | 0.89 | CTSS (0.35) | CTSSMMP2ANPEP | |
| SCHEMBL694938 | 0.89 | CTSS (0.35) | CTSSMMP2ANPEP | |
| SCHEMBL694936 | 0.89 | CTSS (0.35) | CTSSMMP2ANPEP | |
| SCHEMBL696052 | 0.84 | CTSS (0.52) | CTSS | |
| SCHEMBL696814 | 0.84 | SMO (0.35) | CTSS | |
| SCHEMBL696812 | 0.84 | SMO (0.35) | 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 |