Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 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 | |
|---|---|---|---|---|
| SCHEMBL695727 | 0.91 | CHRM1 (0.35) | CHRM1HSD11B1LMNASMN1; SMN2CHRM4 | |
| SCHEMBL695199 | 0.90 | TSHR (0.40) | ADORA2AADORA1MAPTLMNAALDH1A1 | |
| SCHEMBL695190 | 0.85 | HCRTR1 (0.39) | CTSSMAPTLMNAALDH1A1USP2 | |
| SCHEMBL696304 | 0.82 | FKBP1A (0.39) | CTSSADORA2AADORA1HSD11B1MAPT | |
| SCHEMBL695533 | 0.81 | OPRM1 (0.41) | CTSSCHRM1HSD11B1MAPTLMNA | |
| SCHEMBL695743 | 0.81 | MAPT (0.38) | MAPTLMNAALDH1A1USP2TSHR | |
| SCHEMBL696114 | 0.79 | DRD2 (0.38) | CTSSMAPTTP53LMNAALDH1A1 | |
| SCHEMBL695720 | 0.79 | CTSS (0.37) | CTSSADORA2AADORA1HSD11B1USP2 | |
| SCHEMBL696150 | 0.79 | FKBP1A (0.40) | CTSSMAPTALDH1A1USP2TSHR | |
| SCHEMBL696031 | 0.75 | HCRTR1 (0.39) | HSD11B1LMNAALDH1A1 |
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 |