Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 2/20 | 0.41 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ATP4A | P20648 | 3/20 | 0.32 |
| ▸ | ATP4B | P51164 | 3/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6842728 | 0.77 | KDM4E (0.37) | CDC7DBF4PTGS2RARARARB | |
| SCHEMBL955318 | 0.75 | PTGS2 (0.48) | CDC7DBF4PTGS2ALDH1A1MAPT | |
| SCHEMBL29504118 | 0.70 | AXL (0.39) | CDC7ALDH1A1 | |
| SCHEMBL953702 | 0.70 | PTGS2 (0.42) | CDC7DBF4PTGS2RARARARB | |
| SCHEMBL28194346 | 0.68 | ADORA2B (0.49) | ALDH1A1MAPTPTGDR2HPGDLMNA | |
| SCHEMBL954430 | 0.68 | SLC2A1 (0.36) | CDC7DBF4ALDH1A1HPGDTSHR | |
| SCHEMBL956034 | 0.67 | GAA (0.38) | CDC7DBF4ALDH1A1MAPTHPGD | |
| SCHEMBL6845072 | 0.65 | ADORA2A (0.56) | — | |
| SCHEMBL28468236 | 0.64 | GRM4 (0.48) | ALDH1A1MAPTLMNA | |
| SCHEMBL715973 | 0.62 | ILK (0.54) | GLAALDH1A1MAPTHPGDLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |