Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.35 |
| ▸ | FEN1 | P39748 | 4/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23567637 | 0.93 | CHRNB2 (0.61) | CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL6937141 | 0.93 | CHRNB2 (0.61) | CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL26291025 | 0.91 | CHRNB2 (0.55) | CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL25989709 | 0.91 | CHRNB2 (0.55) | CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL26309023 | 0.91 | CHRNB2 (0.55) | CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL2916099 | 0.89 | CHRNB2 (0.63) | CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL451775 | 0.84 | CHRNB2 (0.68) | CHRNB2CHRNA4TAAR1HTR1DHTR1B | |
| SCHEMBL8662752 | 0.83 | CHRNB2 (0.41) | CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL3786817 | 0.79 | CYP3A4 (0.46) | CHRNB2CHRNA4ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL2061289 | 0.79 | CHRNB2 (0.79) | CHRNB2CHRNA4 |
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 |