Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 4/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL779938 | 0.91 | CHRNB4 (0.46) | CHRNB4CHRNA3HTR2CPTGDR2PTGS2 | |
| SCHEMBL6940509 | 0.91 | CHRNB4 (0.50) | CHRNB4CHRNA3HTR2CIDO1PDPK1 | |
| SCHEMBL3425103 | 0.91 | CHRNB4 (0.50) | CHRNB4CHRNA3HTR2CIDO1PDPK1 | |
| SCHEMBL42781 | 0.88 | PTGDR2 (0.48) | CHRNB4CHRNA3HTR2CPTGDR2PTGS2 | |
| SCHEMBL2913571 | 0.86 | CHRNB4 (0.54) | CHRNB4CHRNA3HTR2CNOS3NOS1 | |
| Hydrogen Peroxide SCHEMBL3679819 | 0.83 | PTGDR2 (0.55) | CHRNB4CHRNA3PTGDR2PTGS2 | |
| Hydrogen Peroxide SCHEMBL11398422 | 0.83 | PTGDR2 (0.55) | CHRNB4CHRNA3PTGDR2PTGS2 | |
| SCHEMBL28904978 | 0.81 | PTGDR2 (0.44) | CHRNB4CHRNA3HTR2CPTGDR2PTGS2 | |
| SCHEMBL11704162 | 0.80 | CHRNB4 (0.54) | CHRNB4CHRNA3HTR2CPTGDR2PTGS2 | |
| SCHEMBL6001739 | 0.79 | PTGDR2 (0.40) | HTR2CPTGDR2PTGS2 |
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 |