Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 5/20 | 0.53 |
| ▸ | JAK3 | P52333 | 1/20 | 0.53 |
| ▸ | CLK1 | P49759 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | PRNP | P04156 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21121003 | 1.00 | JAK2 (0.53) | JAK2JAK3CLK1SMN1; SMN2CDK5 | |
| SCHEMBL4383414 | 0.83 | JAK2 (0.53) | JAK2JAK3SMN1; SMN2HTTL3MBTL1 | |
| SCHEMBL21121012 | 0.80 | KMT2A (0.43) | JAK3L3MBTL1KDM4EKMT2AGAA | |
| SCHEMBL4045846 | 0.78 | NEK2 (0.48) | HTTKDM4EMEN1KMT2APOLB | |
| SCHEMBL4380161 | 0.77 | JAK2 (0.61) | JAK2JAK3HDAC1HDAC6ALDH1A1 | |
| SCHEMBL21121006 | 0.77 | BCL6 (0.48) | HTTL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL21121007 | 0.76 | KMT2A (0.47) | JAK3SMN1; SMN2KDM4EMEN1KMT2A | |
| SCHEMBL25750391 | 0.75 | BRAF (0.63) | JAK3SMN1; SMN2HTTL3MBTL1KDM4E | |
| SCHEMBL29808789 | 0.73 | ROCK1 (0.56) | — | |
| SCHEMBL28845393 | 0.73 | ROCK1 (0.56) | — |
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 |