Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | INSR | P06213 | 1/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2062292 | 0.90 | ALDH1A1 (0.37) | ALDH1A1MAPTRECQLTP53HTT | |
| SCHEMBL2944325 | 0.87 | GAA (0.32) | ALDH1A1MAPTRECQLTP53HTT | |
| SCHEMBL2943806 | 0.78 | ALDH1A1 (0.37) | ALDH1A1MAPTRECQLMEN1KMT2A | |
| SCHEMBL2062766 | 0.76 | ALDH1A1 (0.36) | ALDH1A1MAPTRECQLMEN1KMT2A | |
| SCHEMBL2944853 | 0.76 | F2 (0.34) | ALDH1A1MAPTHTTMEN1KMT2A | |
| SCHEMBL2938843 | 0.75 | KDM4E (0.35) | ALDH1A1MAPTHTTMEN1KMT2A | |
| SCHEMBL2061895 | 0.72 | POLB (0.38) | ALDH1A1MAPTHTTHPGDCYP1A2 | |
| SCHEMBL2062829 | 0.71 | ALK (0.40) | ALDH1A1MAPTHTTMEN1KMT2A | |
| SCHEMBL2944328 | 0.68 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL2062625 | 0.63 | F10 (0.37) | HTTUSP2GAA |
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 |