Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 9/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 6/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 3/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL1679693 | 0.85 | CYP2C19 (0.43) | CYP2C19MMP9PTGS2APPCYP3A4 | |
| SCHEMBL1679519 | 0.80 | CYP2C19 (0.37) | CYP2C19MMP9CD274PDCD1CYP2C9 | |
| SCHEMBL1679149 | 0.78 | CYP2C9 (0.48) | CYP2C19MMP9CD274PDCD1PTGS2 | |
| SCHEMBL1678652 | 0.76 | ALDH1A1 (0.40) | MMP9CD274PTGS2CYP3A4HSD17B10 | |
| SCHEMBL1679513 | 0.74 | CYP2C19 (0.49) | CYP2C19PTGS2APPCYP3A4CYP2C9 | |
| SCHEMBL29962195 | 0.73 | CYP2C19 (0.62) | CYP2C19POLB | |
| SCHEMBL598579 | 0.71 | CYP2C19 (0.64) | CYP2C19POLB | |
| SCHEMBL1679382 | 0.71 | CYP2C19 (0.44) | CYP2C19PTGS2APPCYP3A4CYP2C9 | |
| SCHEMBL1679465 | 0.71 | CYP2C19 (0.44) | CYP2C19PTGS2APPCYP3A4CYP2C9 | |
| SCHEMBL11077670 | 0.71 | CYP2C19 (0.73) | CYP2C19PTGS2CYP3A4CYP2C9HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7923573-B2 | Benzene compound having 2 or more substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-04-12 | — | — | US | disclosed |