Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | CLK2 | P49760 | 1/20 | 0.43 |
| ▸ | STK17A | Q9UEE5 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21163820 | 1.00 | SCN9A (0.45) | SCN9AKCNH2KDM4ELMNAPLA2G1B | |
| SCHEMBL29808769 | 0.90 | MEN1 (0.48) | LMNAMAPTCLK4STK17ANPC1 | |
| SCHEMBL21163839 | 0.90 | MEN1 (0.48) | LMNAMAPTCLK4STK17ANPC1 | |
| SCHEMBL21164017 | 0.90 | ROCK1 (0.45) | KDM4ELMNAPLA2G1BMAPTHTT | |
| SCHEMBL29808756 | 0.90 | ROCK1 (0.45) | KDM4ELMNAPLA2G1BMAPTHTT | |
| SCHEMBL28845395 | 0.89 | HTR3E (0.46) | KDM4ELMNAPLA2G1BMAPTHTT | |
| SCHEMBL29808731 | 0.89 | HTR3E (0.46) | KDM4ELMNAPLA2G1BMAPTHTT | |
| SCHEMBL21164016 | 0.85 | ROCK1 (0.37) | KDM4ELMNAMAPTCLK4DYRK1A | |
| SCHEMBL29809148 | 0.85 | ROCK1 (0.37) | KDM4ELMNAMAPTCLK4DYRK1A | |
| SCHEMBL21163819 | 0.84 | SLC2A1 (0.41) | MAPTNPC1RAB9ACDK4CDK2 |
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 |