Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.38 |
| ▸ | MELK | Q14680 | 3/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.31 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.31 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 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 | |
|---|---|---|---|---|
| SCHEMBL23968101 | 0.85 | DRD2 (0.43) | MELKDRD2DRD4DRD3HTR1A | |
| SCHEMBL23968113 | 0.83 | MELK (0.39) | MELKSYKEGLN1DRD2DRD4 | |
| SCHEMBL23968014 | 0.82 | MELK (0.45) | MAP4K1MELK | |
| SCHEMBL23968179 | 0.82 | GRM4 (0.44) | MELKEGLN1DRD2DRD4DRD3 | |
| SCHEMBL23968071 | 0.80 | MLYCD (0.42) | MELK | |
| SCHEMBL23968008 | 0.79 | MELK (0.41) | MELKEGLN1DRD2DRD4DRD3 | |
| SCHEMBL23968184 | 0.76 | MELK (0.39) | MELKEGLN1 | |
| SCHEMBL23968001 | 0.76 | MELK (0.51) | MELKDRD2DRD4DRD3 | |
| SCHEMBL23968162 | 0.75 | MELK (0.40) | MELKDRD2DRD4DRD3LGMN | |
| SCHEMBL23968168 | 0.74 | MELK (0.46) | MELKEGLN1DRD2DRD4DRD3 |
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 |