Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL886245 | 0.89 | SIGMAR1 (0.48) | NOTUMSIGMAR1DRD2DRD3THRB | |
| SCHEMBL885034 | 0.82 | NOTUM (0.49) | NOTUMSIGMAR1DRD2DRD3HDAC1 | |
| SCHEMBL12043682 | 0.78 | NOTUM (0.46) | NOTUMSIGMAR1DRD2DRD3THRB | |
| SCHEMBL2061889 | 0.76 | ATAD2 (0.45) | THRBCYP1A2 | |
| SCHEMBL2063114 | 0.76 | PDE4B (0.37) | — | |
| SCHEMBL21894200 | 0.75 | DRD2 (0.58) | SIGMAR1DRD2DRD3THRB | |
| Hydrochloric Acid SCHEMBL12481287 | 0.75 | ATAD2 (0.44) | THRBCYP1A2 | |
| SCHEMBL8844567 | 0.75 | SIGMAR1 (0.62) | SIGMAR1DRD2DRD3MEN1CYP1A2 | |
| SCHEMBL14288725 | 0.75 | THRB (0.49) | DRD2DRD3THRBMEN1KMT2A | |
| SCHEMBL1764057 | 0.74 | SIGMAR1 (0.58) | NOTUMSIGMAR1DRD2DRD3MEN1 |
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 |