Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.54 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.54 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.54 |
| ▸ | PRKACA | P17612 | 2/20 | 0.54 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.54 |
| ▸ | AKT1 | P31749 | 2/20 | 0.54 |
| ▸ | GSK3A | P49840 | 2/20 | 0.54 |
| ▸ | GSK3B | P49841 | 2/20 | 0.54 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.54 |
| ▸ | NEK4 | P51957 | 2/20 | 0.54 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.54 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.54 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.54 |
| ▸ | PRKG2 | Q13237 | 2/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.54 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.54 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28641831 | 1.00 | MAPT (0.56) | MAPTGLAHTTCHEK1MAP4K4 | |
| SCHEMBL28633070 | 0.86 | CHEK1 (0.58) | CHEK1MAP4K4CHEK2PRKACARPS6KB1 | |
| SCHEMBL28637102 | 0.83 | MAOA (0.63) | CHEK1MAP4K4CHEK2PRKACARPS6KB1 | |
| SCHEMBL28653147 | 0.81 | PIK3CA (0.51) | KMT2AALDH1A1MAOAMAOBNPC1 | |
| SCHEMBL30513615 | 0.81 | PIK3CA (0.51) | KMT2AALDH1A1MAOAMAOBNPC1 | |
| SCHEMBL28635668 | 0.81 | MAPKAPK2 (0.50) | MAPTCHEK1MAP4K4CHEK2PRKACA | |
| SCHEMBL28651333 | 0.81 | CHEK1 (0.52) | MAPTHTTCHEK1MAP4K4CHEK2 | |
| SCHEMBL28642296 | 0.81 | CHEK2 (0.58) | MAPTCHEK1MAP4K4CHEK2PRKACA | |
| SCHEMBL28640083 | 0.81 | KMT2A (0.53) | MAPTCHEK1MAP4K4CHEK2PRKACA | |
| SCHEMBL28925293 | 0.81 | MAPKAPK2 (0.50) | MAPTCHEK1MAP4K4CHEK2PRKACA |
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-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 |