Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 12/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.45 |
| ▸ | MELK | Q14680 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NMT1 | P30419 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23968199 | 0.88 | MAPKAPK2 (0.57) | MAPKAPK2MELKTGFBR1NPC1MAPT | |
| SCHEMBL23968071 | 0.85 | MLYCD (0.42) | MELKNPC1KCNH2 | |
| SCHEMBL23968099 | 0.83 | GRM4 (0.46) | MELKNPC1GRM4 | |
| SCHEMBL23968007 | 0.83 | ALDH1A1 (0.44) | MKNK1MELKMAPTADRB1ALDH1A1 | |
| SCHEMBL16872786 | 0.81 | MKNK1 (0.56) | MKNK1MKNK2MAPKAPK2MAPTKDM4E | |
| SCHEMBL23968103 | 0.81 | MELK (0.46) | MAPKAPK2MELKTGFBR1ACVR1 | |
| SCHEMBL23968114 | 0.81 | MELK (0.42) | MAPKAPK2MELKNPC1 | |
| SCHEMBL16279439 | 0.80 | MKNK1 (0.57) | MKNK1MKNK2MAPKAPK2MAPTKDM4E | |
| SCHEMBL23968101 | 0.79 | DRD2 (0.43) | MAPKAPK2MELKNPC1MAPTADRB1 | |
| SCHEMBL28218775 | 0.78 | ADRB1 (0.65) | NPC1MAPTADRB1KDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3104705-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-03 | — | — | EP | disclosed |