Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.33 |
| ▸ | ITGAL | P20701 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL694848 | 0.91 | CTSS (0.36) | CHRM1SMN1; SMN2LMNACHRM4CYP17A1 | |
| SCHEMBL695743 | 0.90 | MAPT (0.38) | SMN1; SMN2KEAP1NFE2L2LMNAHSD17B10 | |
| SCHEMBL696031 | 0.84 | HCRTR1 (0.39) | LMNAHSD11B1 | |
| SCHEMBL695199 | 0.82 | TSHR (0.40) | SMN1; SMN2KEAP1NFE2L2LMNAPRKG1 | |
| SCHEMBL694457 | 0.81 | AADAT (0.36) | KEAP1CHRM4PTGDR2HSD11B1 | |
| SCHEMBL696136 | 0.80 | AADAT (0.39) | CHRM1SMN1; SMN2KEAP1CHRM4HSD11B1 | |
| SCHEMBL690481 | 0.78 | TSHR (0.36) | SMN1; SMN2CHRM4HSD17B10HSD11B1 | |
| SCHEMBL696225 | 0.78 | KMT2A (0.37) | SMN1; SMN2LMNA | |
| SCHEMBL695528 | 0.78 | CCR4 (0.36) | KEAP1CHRM4 | |
| SCHEMBL3724272 | 0.77 | FKBP1A (0.37) | — |
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 |