Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.36 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL27545407 | 0.84 | FFAR1 (0.38) | ACACB | |
| SCHEMBL28787513 | 0.83 | ROCK1 (0.37) | NAMPTROCK2ROCK1ACACBNOS2 | |
| SCHEMBL28047241 | 0.83 | NOS2 (0.33) | ROCK2ACACBNOS2 | |
| SCHEMBL27972554 | 0.83 | ROCK2 (0.41) | NAMPTSLC6A4ROCK2NOS2 | |
| SCHEMBL27525176 | 0.80 | NOS2 (0.40) | NAMPTNOS2 | |
| SCHEMBL28858540 | 0.78 | NOS2 (0.36) | NOS2 | |
| SCHEMBL28825902 | 0.77 | LDHA (0.40) | LDHASLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27809130 | 0.77 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL28816888 | 0.75 | CTSK (0.36) | NOS2 | |
| SCHEMBL28790153 | 0.74 | LDHA (0.35) | LDHASLC6A4POLBALDH1A1TSHR |
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-109071546-A | Pyrazolo [1,5-A ] pyrazin-4-yl derivatives as JAK inhibitors | 辉瑞大药厂 | 2018-12-21 | — | — | CN | disclosed |