Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 2/20 | 0.53 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.44 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.44 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.44 |
| ▸ | PRKACA | P17612 | 2/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 2/20 | 0.44 |
| ▸ | AKT2 | P31751 | 2/20 | 0.44 |
| ▸ | GSK3A | P49840 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.44 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.44 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.44 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.44 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.44 |
| ▸ | HIPK4 | Q8NE63 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28651862 | 0.84 | NPC1 (0.54) | MAPKAPK2PRKACARPS6KB1GSK3AGSK3B | |
| SCHEMBL11642379 | 0.84 | MAOA (0.61) | MAOAMAOBMEN1KMT2AEPHX2 | |
| SCHEMBL28651333 | 0.83 | CHEK1 (0.52) | MAPKAPK2CHEK1DAPK3RPS6KA5CHEK2 | |
| SCHEMBL28637102 | 0.82 | MAOA (0.63) | MAPKAPK2CHEK1DAPK3RPS6KA5CHEK2 | |
| SCHEMBL28633070 | 0.80 | CHEK1 (0.58) | MAPKAPK2CHEK1DAPK3RPS6KA5CHEK2 | |
| SCHEMBL28642296 | 0.80 | CHEK2 (0.58) | MAPKAPK2CHEK1DAPK3RPS6KA5CHEK2 | |
| SCHEMBL28925293 | 0.80 | MAPKAPK2 (0.50) | MAPKAPK2CHEK1DAPK3RPS6KA5CHEK2 | |
| SCHEMBL28640083 | 0.80 | KMT2A (0.53) | MAPKAPK2CHEK1DAPK3RPS6KA5CHEK2 | |
| SCHEMBL28635668 | 0.80 | MAPKAPK2 (0.50) | MAPKAPK2CHEK1DAPK3RPS6KA5CHEK2 | |
| SCHEMBL4366437 | 0.80 | MAPKAPK2 (0.68) | PLK1MAPKAPK2CHEK1DAPK3RPS6KA5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112759549-B | 3-substituted amino-4- ((substituted pyridinyl) amino) cyclobut-3-ene-1, 2-dione compounds | 中国医学科学院药物研究所 | 2023-07-28 | — | — | CN | disclosed |
| CN-112759549-A | 3-substituted amino-4- ((substituted pyridyl) amino) cyclobut-3-ene-1, 2-diones | 中国医学科学院药物研究所 | 2021-05-07 | — | — | CN | disclosed |