Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5520718 | 1.00 | LMNA (0.43) | LMNAALDH1A1MMEAPAF1LTA4H | |
| SCHEMBL5512480 | 0.91 | CHRM2 (0.43) | LMNAALDH1A1MMELTA4HANPEP | |
| SCHEMBL5512484 | 0.91 | CHRM2 (0.43) | LMNAALDH1A1MMELTA4HANPEP | |
| SCHEMBL5510728 | 0.87 | IDO1 (0.48) | ALDH1A1 | |
| SCHEMBL6171510 | 0.87 | IDO1 (0.48) | ALDH1A1 | |
| SCHEMBL5510731 | 0.87 | IDO1 (0.48) | ALDH1A1 | |
| SCHEMBL5517080 | 0.86 | ROCK1 (0.46) | MAPK1 | |
| SCHEMBL5517074 | 0.86 | ROCK1 (0.46) | MAPK1 | |
| SCHEMBL692543 | 0.82 | KLK7 (0.44) | LMNACYP2D6SRCSRRMAPK1 | |
| SCHEMBL5526282 | 0.82 | CTSL (0.46) | — |
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-1537074-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004022526-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2004-03-18 | — | — | WO | disclosed |