Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | BCL6 | P41182 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21164017 | 1.00 | ROCK1 (0.45) | ROCK1BCL6CDC7MAPK8MAPT | |
| SCHEMBL21163791 | 0.90 | CYP1A2 (0.46) | CDC7MAPTKDM4ELMNAHTT | |
| SCHEMBL21163820 | 0.90 | SCN9A (0.45) | MAPTKDM4ELMNAHTTPLA2G1B | |
| SCHEMBL29809241 | 0.90 | SCN9A (0.45) | MAPTKDM4ELMNAHTTPLA2G1B | |
| SCHEMBL29808769 | 0.90 | MEN1 (0.48) | ROCK1MAPK8MAPTLMNAUSP2 | |
| SCHEMBL21163839 | 0.90 | MEN1 (0.48) | ROCK1MAPK8MAPTLMNAUSP2 | |
| SCHEMBL29808731 | 0.88 | HTR3E (0.46) | ROCK1MAPTKDM4ELMNAHTT | |
| SCHEMBL21163838 | 0.88 | NTRK1 (0.44) | MAPTKDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL28953540 | 0.88 | KDR (0.46) | ROCK1BCL6CDC7MAPTKDM4E | |
| SCHEMBL29808937 | 0.88 | KDR (0.46) | ROCK1BCL6CDC7MAPTKDM4E |
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 |