Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2916572 | 0.83 | DRD2 (0.42) | DRD2HTR2AHIF1AALDH1A1L3MBTL1 | |
| SCHEMBL2908455 | 0.82 | DRD2 (0.36) | DRD2HTR2A | |
| SCHEMBL2913919 | 0.81 | ALDH1A1 (0.43) | DRD2HTR2AALDH1A1L3MBTL1MAPT | |
| SCHEMBL2062420 | 0.72 | LMNA (0.37) | HTR2AALDH1A1L3MBTL1CYP1A2 | |
| SCHEMBL9495772 | 0.71 | SLC18A3 (0.46) | DRD2HTR2AHIF1ASLC18A3HSP90AA1 | |
| SCHEMBL7010627 | 0.68 | PDE7A (0.47) | HIF1AHSP90AA1 | |
| SCHEMBL7008003 | 0.68 | CHRNA7 (0.54) | — | |
| SCHEMBL3440734 | 0.68 | HIF1A (0.45) | HIF1AHSP90AA1ALDH1A1L3MBTL1MAPT | |
| SCHEMBL4342323 | 0.68 | MEN1 (0.54) | ALDH1A1L3MBTL1CYP1A2CYP2D6MAPT | |
| SCHEMBL467693 | 0.68 | GRIN2B (0.49) | ALDH1A1L3MBTL1CYP1A2CYP2D6MAPT |
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 |