Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.31 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 2/20 | 0.30 |
| ▸ | ANPEP | P15144 | 1/20 | 0.30 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.30 |
| ▸ | KDM5A | P29375 | 1/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
| ▸ | KDM5B | Q9UGL1 | 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 | |
|---|---|---|---|---|
| SCHEMBL694936 | 1.00 | CTSS (0.35) | CTSSSMN1; SMN2CHRM1CHRM4ADORA2A | |
| SCHEMBL694937 | 1.00 | CTSS (0.35) | CTSSSMN1; SMN2CHRM1CHRM4ADORA2A | |
| SCHEMBL695912 | 0.90 | CHRM1 (0.33) | CTSSCHRM1CHRM4SMARCA2SMARCA4 | |
| SCHEMBL695913 | 0.90 | CHRM1 (0.33) | CTSSCHRM1CHRM4SMARCA2SMARCA4 | |
| SCHEMBL695198 | 0.89 | CTSS (0.39) | CTSSMMP2ANPEP | |
| SCHEMBL2106619 | 0.89 | CTSS (0.39) | CTSSMMP2ANPEP | |
| SCHEMBL696812 | 0.88 | SMO (0.35) | CTSSSMN1; SMN2CHRM1ADORA2AADORA1 | |
| SCHEMBL696814 | 0.88 | SMO (0.35) | CTSSSMN1; SMN2CHRM1ADORA2AADORA1 | |
| SCHEMBL694847 | 0.88 | CTSS (0.49) | CTSSCHRM1 | |
| SCHEMBL2104296 | 0.88 | CTSS (0.49) | CTSSCHRM1 |
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 |