Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCND3 | P30281 | 1/20 | 0.36 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23968179 | 0.85 | GRM4 (0.44) | MELKMTOREGLN1CDK1CDK4 | |
| SCHEMBL23968101 | 0.82 | DRD2 (0.43) | MELKMTORALDH1A1MAPTKDM4E | |
| SCHEMBL23968113 | 0.82 | MELK (0.39) | MELKEGLN1CDK1CDK4CCNB1 | |
| SCHEMBL23968184 | 0.82 | MELK (0.39) | MELKEGLN1 | |
| SCHEMBL23968093 | 0.82 | MAP4K4 (0.54) | MELKALDH1A1MAPTMAP4K4DRD4 | |
| SCHEMBL23968104 | 0.81 | CCNT1 (0.42) | MELKKDM4ECDK1CDK4CCNB1 | |
| SCHEMBL23968161 | 0.79 | S1PR1 (0.41) | MELKCNR2EGLN1DRD4DRD2 | |
| SCHEMBL23968007 | 0.79 | ALDH1A1 (0.44) | MELKEGLN1ALDH1A1MAPTMAP4K4 | |
| SCHEMBL23968020 | 0.77 | KMT2A (0.47) | MELKCNR2EGLN1MAPTKDM4E | |
| SCHEMBL23968001 | 0.76 | MELK (0.51) | MELKALDH1A1MAPTMAP4K4DRD4 |
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 |