Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.35 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 3/20 | 0.32 |
| ▸ | CDK9 | P50750 | 3/20 | 0.32 |
| ▸ | SLC40A1 | Q9NP59 | 3/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | GLO1 | Q04760 | 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 | |
|---|---|---|---|---|
| SCHEMBL29015706 | 1.00 | ALK (0.35) | ALKPKMYT1RAPGEF4PKML3MBTL1 | |
| SCHEMBL27238032 | 0.90 | ALK (0.45) | ALKCDK7CDK9 | |
| SCHEMBL30426111 | 0.90 | ALK (0.45) | ALKCDK7CDK9 | |
| SCHEMBL29015730 | 0.88 | ALK (0.41) | ALKCDK7CDK9KMT2A | |
| SCHEMBL30872003 | 0.88 | GLO1 (0.43) | ALKL3MBTL1CDK7CDK9SLC40A1 | |
| SCHEMBL29015696 | 0.88 | GLO1 (0.43) | ALKL3MBTL1CDK7CDK9SLC40A1 | |
| SCHEMBL30424889 | 0.88 | ALK (0.41) | ALKCDK7CDK9KMT2A | |
| SCHEMBL30871971 | 0.85 | ULK1 (0.42) | ALKCDK7CDK9 | |
| SCHEMBL29216425 | 0.85 | ULK1 (0.42) | ALKCDK7CDK9 | |
| SCHEMBL30730911 | 0.81 | PIK3C3 (0.34) | AURKABRD4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117794914-A | Pyrimidine-2, 4-diamine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient | 韩国化学研究院 | 2024-03-29 | — | — | CN | disclosed |