Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7132364 | 0.93 | MAPK1 (0.60) | MAPK1HSD17B10CYP2C9NR1I2ALDH1A1 | |
| SCHEMBL7128338 | 0.90 | MAPK1 (0.56) | MAPK1HSD17B10CYP2C9NR1I2ALDH1A1 | |
| SCHEMBL7066378 | 0.90 | MAPK1 (0.64) | MAPK1HSD17B10CYP2C9NR1I2ALDH1A1 | |
| SCHEMBL7065439 | 0.88 | MAPK1 (0.58) | MAPK1HSD17B10CYP2C9NR1I2ALDH1A1 | |
| SCHEMBL7067024 | 0.87 | MAPK1 (0.54) | MAPK1HSD17B10CYP2C9NR1I2ALDH1A1 | |
| SCHEMBL7063534 | 0.86 | MAPK1 (0.56) | MAPK1HSD17B10CYP2C9NR1I2ALDH1A1 | |
| SCHEMBL7065608 | 0.85 | MAPK1 (0.52) | MAPK1HSD17B10CYP2C9NR1I2ALDH1A1 | |
| SCHEMBL7066617 | 0.83 | MAPK1 (0.49) | MAPK1HSD17B10CYP2C9NR1I2ALDH1A1 | |
| SCHEMBL7120623 | 0.82 | MAPK1 (0.49) | MAPK1HSD17B10CYP2C9NR1I2ALDH1A1 | |
| SCHEMBL7132165 | 0.82 | MAPK1 (0.49) | MAPK1HSD17B10CYP2C9NR1I2ALDH1A1 |
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-2003037262-A2 | NOVEL ANIT-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2003-05-08 | — | — | WO | disclosed |