Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | SCD | O00767 | 2/20 | 0.32 |
| ▸ | SCD5 | Q86SK9 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PKLR | P30613 | 1/20 | 0.31 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.31 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4766036 | 1.00 | ALDH1A1 (0.35) | ALDH1A1MAPTL3MBTL1PKMADORA2A | |
| SCHEMBL4770647 | 0.95 | ADORA2A (0.33) | ALDH1A1MAPTL3MBTL1PKMADORA2A | |
| SCHEMBL4770638 | 0.95 | ADORA2A (0.33) | ALDH1A1MAPTL3MBTL1PKMADORA2A | |
| SCHEMBL4794085 | 0.93 | MAPT (0.38) | ALDH1A1MAPTL3MBTL1ADORA2AADORA2B | |
| SCHEMBL4794079 | 0.93 | MAPT (0.38) | ALDH1A1MAPTL3MBTL1ADORA2AADORA2B | |
| SCHEMBL4767385 | 0.91 | ADORA2B (0.38) | ALDH1A1ADORA2AADORA2BADORA1SCD5 | |
| SCHEMBL4767375 | 0.91 | ADORA2B (0.38) | ALDH1A1ADORA2AADORA2BADORA1SCD5 | |
| SCHEMBL4764053 | 0.90 | ALDH1A1 (0.41) | ALDH1A1MAPTL3MBTL1PKMADORA2A | |
| SCHEMBL4762591 | 0.88 | MAPT (0.37) | ALDH1A1MAPTL3MBTL1PKMADORA2A | |
| SCHEMBL4762596 | 0.88 | MAPT (0.37) | ALDH1A1MAPTL3MBTL1PKMADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1678181-B1 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS INC (US) | 2008-12-31 | — | — | EP | disclosed |