Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.57 |
| ▸ | MELK | Q14680 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23968136 | 0.88 | MKNK1 (0.47) | MAPKAPK2MELKNPC1ADRB1MAPT | |
| SCHEMBL23968103 | 0.85 | MELK (0.46) | MAPKAPK2MELKKMT2ATGFBR1MEN1 | |
| SCHEMBL23968014 | 0.84 | MELK (0.45) | MAPKAPK2MELK | |
| SCHEMBL23968072 | 0.84 | MELK (0.45) | MAPKAPK2MELK | |
| SCHEMBL23968093 | 0.83 | MAP4K4 (0.54) | MELKRAB9ANPC1MAPTALDH1A1 | |
| SCHEMBL23968001 | 0.83 | MELK (0.51) | MELKMAPTALDH1A1GRM4 | |
| SCHEMBL23968101 | 0.81 | DRD2 (0.43) | MAPKAPK2MELKRAB9ANPC1HTR3E | |
| SCHEMBL902160 | 0.80 | HTR3E (0.61) | RAB9ANPC1HTR3EHTR3BADRB1 | |
| SCHEMBL23968090 | 0.80 | MELK (0.49) | MAPKAPK2MELKMAPTALDH1A1 | |
| SCHEMBL23968098 | 0.80 | MELK (0.48) | MELKRAB9ANPC1KDM4E |
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 |