Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 3/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 5/20 | 0.33 |
| ▸ | HTR2A | P28223 | 5/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2910443 | 0.79 | IDO1 (0.43) | HTR2AALDH1A1KDM4E | |
| SCHEMBL17729306 | 0.78 | IDO1 (0.42) | DRD1CYP19A1DRD2HTR2A | |
| SCHEMBL2910014 | 0.77 | PNMT (0.42) | DRD1DRD2HTR2AHTR1AALDH1A1 | |
| SCHEMBL2060748 | 0.68 | CASP1 (0.55) | CA9CASP1CASP7HSD17B10ATAD2 | |
| SCHEMBL3441097 | 0.67 | SLC6A2 (0.43) | CA9DRD1CA12CA1CA2 | |
| SCHEMBL6797112 | 0.67 | GAA (0.39) | DRD2HTR2ANR1H2ALDH1A1MAPK1 | |
| SCHEMBL8307649 | 0.66 | CHRM4 (0.49) | ATAD2DRD1DRD2HSD17B3 | |
| SCHEMBL27156632 | 0.66 | DRD1 (0.51) | DRD1DRD2HTR2AHTR1ADRD5 | |
| SCHEMBL5022423 | 0.65 | CYP2A6 (0.54) | CA9CASP1CASP7HSD17B10ATAD2 | |
| SCHEMBL27174130 | 0.65 | CYP2A6 (0.54) | CA9CASP1CASP7HSD17B10ATAD2 |
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 |