Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 13/20 | 0.47 |
| ▸ | MMP2 | P08253 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | ELOVL6 | Q9H5J4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2105712 | 1.00 | CTSS (0.47) | CTSSMMP2CYP3A4CYP2C9MEN1 | |
| SCHEMBL2105235 | 0.89 | MMP2 (0.47) | CTSSMMP2CYP3A4CYP2C9MEN1 | |
| SCHEMBL694851 | 0.89 | MMP2 (0.47) | CTSSMMP2CYP3A4CYP2C9MEN1 | |
| SCHEMBL2105439 | 0.85 | CTSS (0.53) | CTSS | |
| SCHEMBL696793 | 0.85 | CTSS (0.53) | CTSS | |
| SCHEMBL696665 | 0.82 | CTSS (0.46) | CTSS | |
| SCHEMBL696663 | 0.82 | CTSS (0.46) | CTSS | |
| SCHEMBL697190 | 0.82 | CTSS (0.46) | CTSS | |
| SCHEMBL696664 | 0.82 | CTSS (0.46) | CTSS | |
| SCHEMBL695866 | 0.81 | NR1H2 (0.52) | CTSSMMP2CYP3A4CYP2C9ANPEP |
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 |