Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 11/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1679476 | 0.85 | CYP2C19 (0.59) | CYP2C19AKR1C3AKR1C2APPCYP3A4 | |
| SCHEMBL11077670 | 0.80 | CYP2C19 (0.73) | CYP2C19CYP3A4CYP2C9ESR2HSD17B10 | |
| SCHEMBL1679138 | 0.80 | CYP2C19 (0.52) | CYP2C19AKR1C3AKR1C2APPCYP3A4 | |
| SCHEMBL1679486 | 0.74 | CYP2C19 (0.46) | CYP2C19APPCYP3A4CYP2C9HSD17B10 | |
| SCHEMBL1678611 | 0.72 | CYP2C19 (0.53) | CYP2C19ESR2HSD17B10ESR1 | |
| SCHEMBL5156636 | 0.71 | CYP2C19 (0.80) | CYP2C19CYP3A4PTGS2 | |
| SCHEMBL1679465 | 0.71 | CYP2C19 (0.44) | CYP2C19AKR1C3AKR1C2APPCYP3A4 | |
| SCHEMBL1678537 | 0.71 | AKR1C3 (0.61) | CYP2C19AKR1C3AKR1C2APPCYP3A4 | |
| SCHEMBL17080058 | 0.71 | CYP2C19 (0.68) | CYP2C19PTGS2 | |
| SCHEMBL1679693 | 0.70 | CYP2C19 (0.43) | CYP2C19APPCYP3A4CYP2C9ESR2 |
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 |