Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 5/20 | 0.38 |
| ▸ | CDK4 | P11802 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR1E | P28566 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640949 | 0.91 | MAP4K1 (0.37) | MAP4K1CDK4KDRCDK2GSK3B | |
| SCHEMBL29640793 | 0.85 | ROCK2 (0.38) | MAP4K1 | |
| SCHEMBL29640959 | 0.85 | ROCK2 (0.42) | CDK4CDK2GSK3B | |
| SCHEMBL29640788 | 0.83 | ALDH1A1 (0.38) | MAP4K1CDK4 | |
| SCHEMBL29627741 | 0.76 | ROCK2 (0.45) | KDRTMEM97EGFR | |
| SCHEMBL29640810 | 0.76 | DYRK1A (0.36) | — | |
| SCHEMBL29627929 | 0.76 | HTR3A (0.43) | CDK2HTR3AHTR1AADRA2AADRA2B | |
| SCHEMBL29640878 | 0.76 | DYRK1A (0.32) | — | |
| SCHEMBL29640778 | 0.76 | ROCK2 (0.38) | — | |
| SCHEMBL29640938 | 0.76 | ROCK2 (0.42) | — |
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-114502163-A | Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2022-05-13 | — | — | CN | disclosed |