Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | JUN | P05412 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 3/20 | 0.37 |
| ▸ | SSTR2 | P30874 | 3/20 | 0.36 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22179957 | 1.00 | ALDH1A1 (0.38) | ALDH1A1JUNCDK2MAPK8MAPK9 | |
| SCHEMBL30738220 | 0.88 | SSTR2 (0.40) | SSTR2PAK1HDAC1HDAC2ATM | |
| SCHEMBL22179962 | 0.88 | SSTR2 (0.40) | SSTR2PAK1HDAC1HDAC2ATM | |
| SCHEMBL22180265 | 0.87 | ABL1 (0.47) | ALDH1A1HDAC1HDAC2ABL1ATM | |
| SCHEMBL30738323 | 0.87 | ABL1 (0.47) | ALDH1A1HDAC1HDAC2ABL1ATM | |
| SCHEMBL22179959 | 0.86 | HDAC1 (0.46) | ALDH1A1JAK2HDAC1HDAC2ABL1 | |
| SCHEMBL30738352 | 0.86 | HDAC1 (0.46) | ALDH1A1JAK2HDAC1HDAC2ABL1 | |
| SCHEMBL30738554 | 0.83 | SLC34A1 (0.40) | HDAC1HDAC2 | |
| SCHEMBL22179708 | 0.83 | SLC34A1 (0.40) | HDAC1HDAC2 | |
| SCHEMBL22179710 | 0.82 | MAP4K4 (0.39) | HDAC1HDAC2ABL1 |
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-113166119-B | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |