Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 5/20 | 0.36 |
| ▸ | INSR | P06213 | 4/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21894160 | 0.80 | CYP2C9 (0.43) | ALKDRD2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2061889 | 0.76 | ATAD2 (0.45) | ALKINSRALDH1A1CYP1A2THRB | |
| SCHEMBL2062923 | 0.75 | ALK (0.39) | ALKINSRDRD2ALDH1A1THRB | |
| SCHEMBL3111797 | 0.75 | ALK (0.37) | ALKINSRDRD2THRBDRD3 | |
| Hydrochloric Acid SCHEMBL12481287 | 0.75 | ATAD2 (0.44) | ALKINSRALDH1A1CYP1A2THRB | |
| SCHEMBL2062829 | 0.73 | ALK (0.40) | ALKINSRALDH1A1POLBGAA | |
| SCHEMBL15938036 | 0.71 | SMN1; SMN2 (0.38) | ALKINSRALDH1A1THRBPOLB | |
| SCHEMBL15938590 | 0.71 | KDM4E (0.41) | ALKALDH1A1CYP2D6GAA | |
| SCHEMBL718815 | 0.70 | MEN1 (0.53) | PDE4BPOLBHTR2AHTR2CCYP19A1 | |
| SCHEMBL15938524 | 0.69 | HSP90AA1 (0.40) | ALKDRD2CYP1A2CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2953457-B1 | ERK INHIBITORS AND USES THEREOF | CELGENE CAR LLC (BM) | 2020-04-08 | — | — | EP | disclosed |