Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MELK | Q14680 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.40 |
| ▸ | HTR3B | O95264 | 2/20 | 0.40 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23968093 | 0.86 | MAP4K4 (0.54) | ALDH1A1SMN1; SMN2MAPTMELKMAP4K4 | |
| SCHEMBL23968099 | 0.85 | GRM4 (0.46) | MELKDRD4DRD2DRD3EGLN1 | |
| SCHEMBL23968136 | 0.83 | MKNK1 (0.47) | ALDH1A1MAPTMELKMKNK1ADRB1 | |
| SCHEMBL23968071 | 0.81 | MLYCD (0.42) | MELKNOTUM | |
| SCHEMBL23968114 | 0.81 | MELK (0.42) | MELKMAP4K4EGLN1 | |
| SCHEMBL23968008 | 0.79 | MELK (0.41) | ALDH1A1MAPTMELKMAP4K4DRD4 | |
| SCHEMBL23968168 | 0.79 | MELK (0.46) | ALDH1A1MAPTMELKMAP4K4DRD4 | |
| SCHEMBL23968001 | 0.78 | MELK (0.51) | ALDH1A1LMNAMAPTMELKMAP4K4 | |
| SCHEMBL23968020 | 0.78 | KMT2A (0.47) | MAPTMELKMAP4K4DRD4HTR2C | |
| SCHEMBL23968144 | 0.78 | MELK (0.37) | MAPTMELKMAP4K4AKR1C3 |
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 |