Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 4/20 | 0.44 |
| ▸ | INSR | P06213 | 3/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25975998 | 0.83 | POLB (0.46) | ALKINSRHRH3DRD2DRD3 | |
| SCHEMBL519769 | 0.81 | ALK (0.44) | ALKINSRHRH3KCNH2ABCB1 | |
| SCHEMBL1952977 | 0.76 | SIGMAR1 (0.48) | KCNH2ABCB1DRD2DRD1 | |
| SCHEMBL13102586 | 0.74 | POLB (0.53) | ABCB1DRD2DRD3 | |
| SCHEMBL6690708 | 0.74 | HRH3 (0.79) | HRH3HRH1 | |
| SCHEMBL1950368 | 0.73 | ABCB1 (0.45) | HRH3ABCB1DRD2DRD3 | |
| SCHEMBL29356237 | 0.73 | ABCB1 (0.45) | HRH3ABCB1DRD2DRD3 | |
| SCHEMBL20548499 | 0.73 | CARM1 (0.52) | HRH3ABCB1DRD2DRD1DRD3 | |
| SCHEMBL1951288 | 0.73 | ABCB1 (0.45) | HRH3ABCB1DRD2DRD3 | |
| SCHEMBL10090165 | 0.72 | MEN1 (0.62) | HRH3HRH1DRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2222647-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | Cephalon, Inc. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2008051547-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | CEPHALON, INC. (US) | 2008-05-02 | — | — | WO | disclosed |