Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.55 |
| ▸ | DRD2 | P14416 | 4/20 | 0.49 |
| ▸ | DRD3 | P35462 | 4/20 | 0.49 |
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2061402 | 0.90 | SIGMAR1 (0.52) | SIGMAR1DRD2DRD3CHRM2CHRM1 | |
| SCHEMBL10608404 | 0.80 | SIGMAR1 (0.71) | SIGMAR1CHRM2CHRM1CHRM3CHRM4 | |
| SCHEMBL2062693 | 0.79 | ADRA1A (0.47) | SIGMAR1CHRM2CHRM1CHRM3CHRM4 | |
| SCHEMBL2063723 | 0.78 | ALK (0.45) | SIGMAR1DRD2DRD3KCNH2 | |
| SCHEMBL4215401 | 0.76 | CHRM2 (0.55) | SIGMAR1DRD2DRD3CHRM2CHRM1 | |
| SCHEMBL9727207 | 0.76 | CHRM2 (0.55) | SIGMAR1DRD2DRD3CHRM2CHRM1 | |
| SCHEMBL11393302 | 0.75 | SIGMAR1 (0.54) | SIGMAR1DRD2DRD3CHRM2CHRM1 | |
| SCHEMBL8677765 | 0.75 | SIGMAR1 (0.54) | SIGMAR1DRD2DRD3CHRM2CHRM1 | |
| SCHEMBL2061311 | 0.75 | ALK (0.42) | SIGMAR1 | |
| SCHEMBL2061689 | 0.75 | SIGMAR1 (0.42) | SIGMAR1 |
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 |