Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 2/20 | 0.42 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | CDK4 | P11802 | 2/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.42 |
| ▸ | CCND1 | P24385 | 2/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | CCND3 | P30281 | 2/20 | 0.42 |
| ▸ | CDK7 | P50613 | 2/20 | 0.42 |
| ▸ | CDK9 | P50750 | 2/20 | 0.42 |
| ▸ | CCNH | P51946 | 2/20 | 0.42 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.42 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23968097 | 0.87 | MELK (0.39) | CCNT1CDK1CDK4CCNB1CCND1 | |
| SCHEMBL23968098 | 0.84 | MELK (0.48) | MELKNPC1RAB9ACHEK1GRM5 | |
| SCHEMBL23968144 | 0.83 | MELK (0.37) | MELKRET | |
| SCHEMBL23968008 | 0.81 | MELK (0.41) | CDK1CDK4CCNB1CCND1CCNE1 | |
| SCHEMBL23968021 | 0.79 | MELK (0.37) | MELKRETKDM4ETP53 | |
| SCHEMBL23968116 | 0.79 | MELK (0.39) | MELKRET | |
| SCHEMBL23968184 | 0.78 | MELK (0.39) | MELKRETAXL | |
| SCHEMBL23968093 | 0.75 | MAP4K4 (0.54) | MELKNPC1RAB9A | |
| SCHEMBL23968162 | 0.74 | MELK (0.40) | MELKNPC1RAB9AKDM4ELGMN | |
| SCHEMBL23968094 | 0.74 | MELK (0.40) | MELKRET |
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 |