Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL696236 | 0.89 | ADORA2A (0.35) | LMNA | |
| SCHEMBL695644 | 0.88 | KMT2A (0.35) | KMT2AMAPTPOLBKEAP1LMNA | |
| SCHEMBL696054 | 0.81 | ACE (0.37) | KEAP1LMNA | |
| SCHEMBL694119 | 0.80 | CNR2 (0.38) | KMT2APOLBLMNACYP2C19 | |
| SCHEMBL697456 | 0.77 | PEPD (0.36) | KMT2APOLBLMNAAADAT | |
| SCHEMBL696519 | 0.72 | FKBP1A (0.40) | MAPTHSD17B10 | |
| SCHEMBL695772 | 0.68 | ALDH1A1 (0.41) | KEAP1LMNA | |
| SCHEMBL695240 | 0.66 | CNR2 (0.41) | KMT2ALMNACYP2C19 | |
| SCHEMBL696225 | 0.64 | KMT2A (0.37) | KMT2AMAPTLMNA | |
| SCHEMBL695528 | 0.64 | CCR4 (0.36) | KMT2AKEAP1 |
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 |