Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 3/20 | 0.37 |
| ▸ | PRKACG | P22612 | 3/20 | 0.37 |
| ▸ | PRKACB | P22694 | 3/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 3/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | FLT4 | P35916 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | CDKL3 | Q8IVW4 | 1/20 | 0.33 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29969053 | 0.87 | PIM1 (0.41) | KCNA5GRM4DYRK1A | |
| SCHEMBL29967816 | 0.86 | PRMT6 (0.39) | KCNA5MAPK8HTR1AFGFR1GRM4 | |
| SCHEMBL29968061 | 0.85 | MAPK8 (0.35) | ROCK2PRKACAMAPK8HTR1AROCK1 | |
| SCHEMBL29967591 | 0.84 | MAPK8 (0.41) | ROCK2PRKACAMAPK8ROCK1FGFR1 | |
| SCHEMBL29968291 | 0.82 | MAPK8 (0.35) | ROCK2PRKACAMAPK8HTR1AROCK1 | |
| SCHEMBL29967968 | 0.80 | MAPK10 (0.44) | ROCK2PRKACAMAPK8ROCK1DYRK1A | |
| SCHEMBL29969072 | 0.79 | MAPK10 (0.35) | ROCK2PRKACAMAPK8HTR1AROCK1 | |
| SCHEMBL29969002 | 0.78 | MAPK8 (0.34) | ROCK2PRKACAMAPK8HTR1AROCK1 | |
| SCHEMBL29967878 | 0.78 | MAPK10 (0.45) | ROCK2PRKACAMAPK8ROCK1DYRK1A | |
| SCHEMBL29967707 | 0.77 | MAPK10 (0.43) | ROCK2PRKACAMAPK8ROCK1DYRK1A |
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-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |