Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 11/20 | 0.56 |
| ▸ | BCL6 | P41182 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA6 | P23280 | 1/20 | 0.51 |
| ▸ | CA5A | P35218 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.49 |
| ▸ | CDC7 | O00311 | 1/20 | 0.48 |
| ▸ | MAPKAPK2 | P49137 | 6/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29808789 | 1.00 | ROCK1 (0.56) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL29809026 | 0.90 | KCNH2 (0.45) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL21121005 | 0.90 | KCNH2 (0.45) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL29809036 | 0.89 | INSR (0.48) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL21163904 | 0.89 | INSR (0.48) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL21163558 | 0.85 | ABL1 (0.45) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL29809040 | 0.85 | ABL1 (0.45) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL21163561 | 0.84 | PAK4 (0.41) | ROCK1BCL6 | |
| SCHEMBL29808697 | 0.84 | PAK4 (0.41) | ROCK1BCL6 | |
| SCHEMBL21163559 | 0.83 | HRH4 (0.55) | ROCK1BCL6 |
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 | claimed |