Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK4 | O96013 | 1/20 | 0.41 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.40 |
| ▸ | CDK9 | P50750 | 2/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | BCL6 | P41182 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21163561 | 1.00 | PAK4 (0.41) | PAK4PAK1ROCK1CDK9CDK7 | |
| SCHEMBL21164015 | 0.96 | AURKB (0.42) | PAK4PAK1ROCK1MAPK1BCL6 | |
| SCHEMBL21163904 | 0.85 | INSR (0.48) | ROCK1SYKMAPK1BCL6MEN1 | |
| SCHEMBL29809036 | 0.85 | INSR (0.48) | ROCK1SYKMAPK1BCL6MEN1 | |
| SCHEMBL28845393 | 0.84 | ROCK1 (0.56) | ROCK1BCL6 | |
| SCHEMBL29808789 | 0.84 | ROCK1 (0.56) | ROCK1BCL6 | |
| SCHEMBL21163558 | 0.82 | ABL1 (0.45) | ROCK1CDK7SYKMAPK1FLT3 | |
| SCHEMBL29809040 | 0.82 | ABL1 (0.45) | ROCK1CDK7SYKMAPK1FLT3 | |
| SCHEMBL29808929 | 0.81 | PLK1 (0.40) | ROCK1SYKMAPK1FLT3MEN1 | |
| SCHEMBL21163559 | 0.80 | HRH4 (0.55) | ROCK1SYKMAPK1BCL6MEN1 |
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-111065635-B | Novel pyrimidine derivatives as MTH1 inhibitors | 无锡安万生物科技有限公司 | 2022-07-22 | — | — | CN | disclosed |