Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CDK4 | P11802 | 2/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | CCND1 | P24385 | 2/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCND3 | P30281 | 2/20 | 0.35 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 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 | |
|---|---|---|---|---|
| SCHEMBL23968179 | 0.84 | GRM4 (0.44) | MELKCDK1CDK4CCNB1CCND1 | |
| SCHEMBL23968161 | 0.83 | S1PR1 (0.41) | MELKSYKEGLN1KDRTGFBR1 | |
| SCHEMBL23968008 | 0.82 | MELK (0.41) | MELKCDK1CDK4CCNB1CCND1 | |
| SCHEMBL23968101 | 0.79 | DRD2 (0.43) | MELKDRD2DRD4DRD3 | |
| SCHEMBL23968184 | 0.79 | MELK (0.39) | MELKEGLN1HTR7 | |
| SCHEMBL23968106 | 0.78 | MELK (0.43) | MELKSYKDHFR | |
| SCHEMBL23968001 | 0.76 | MELK (0.51) | MELKDRD2DRD4DRD3 | |
| SCHEMBL23968081 | 0.75 | MELK (0.45) | MELK | |
| SCHEMBL23968162 | 0.75 | MELK (0.40) | MELKLGMNDRD2DRD4DRD3 | |
| SCHEMBL23968168 | 0.74 | MELK (0.46) | MELKEGLN1LGMNDRD2DRD4 |
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 |