Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP12 | P39900 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | MMP14 | P50281 | 1/20 | 0.48 |
| ▸ | MMP16 | P51512 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CDC42 | P60953 | 1/20 | 0.46 |
| ▸ | RAC1 | P63000 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1679547 | 0.89 | CYP2C19 (0.46) | CYP2C19APPSMN1; SMN2CYP1A2BACE1 | |
| SCHEMBL1679276 | 0.84 | CYP2C9 (0.50) | CYP2C19APPPTGS2AKR1C3AKR1C2 | |
| SCHEMBL7960349 | 0.79 | PTGS2 (0.57) | PTGS2AKR1C3AKR1C2PTGS1CYP1A2 | |
| SCHEMBL6372641 | 0.79 | PTGS2 (0.57) | CYP2C19APPMMP2MMP3MMP9 | |
| SCHEMBL1679080 | 0.78 | MMP2 (0.55) | CYP2C19APPMMP2MMP3MMP9 | |
| SCHEMBL1678899 | 0.75 | HSD17B1 (0.41) | CYP2C19APPMMP2MMP9MMP13 | |
| SCHEMBL1679330 | 0.75 | APP (0.49) | CYP2C19APPMMP2MMP3MMP9 | |
| SCHEMBL3678216 | 0.73 | PTGS2 (0.48) | PTGS2AKR1C3AKR1C2PTGS1CYP1A2 | |
| SCHEMBL4944808 | 0.72 | HSD17B10 (0.51) | CYP2C19MMP2MMP3MMP9MMP8 | |
| SCHEMBL7629389 | 0.72 | GRM1 (0.42) | SMN1; SMN2PTGS2AKR1C3AKR1C2PTGS1 |
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 |