Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1679465 | 0.84 | CYP2C19 (0.44) | CYP2C19APPCYP2C9CYP3A4ESR2 | |
| SCHEMBL1679498 | 0.78 | CYP2C19 (0.55) | CYP2C19CYP17A1APPCYP2C9CYP3A4 | |
| SCHEMBL1679476 | 0.76 | CYP2C19 (0.59) | CYP2C19APPCYP2C9CYP3A4LMNA | |
| SCHEMBL11077670 | 0.73 | CYP2C19 (0.73) | CYP2C19CYP2C9CYP3A4ESR2LMNA | |
| SCHEMBL17079994 | 0.73 | CYP2C19 (0.50) | CYP2C19LMNA | |
| SCHEMBL1679486 | 0.71 | CYP2C19 (0.46) | CYP2C19APPCYP2C9CYP3A4HSD17B10 | |
| SCHEMBL9367851 | 0.71 | CES2 (0.44) | CYP2C19CYP3A4LMNACYP2D6 | |
| SCHEMBL17080012 | 0.70 | CYP2C19 (0.54) | CYP2C19 | |
| SCHEMBL1679693 | 0.69 | CYP2C19 (0.43) | CYP2C19APPCYP2C9CYP3A4ESR2 | |
| SCHEMBL1678611 | 0.69 | CYP2C19 (0.53) | CYP2C19ESR2LMNAHSD17B10ESR1 |
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 |