Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MGAM | O43451 | 1/20 | 0.45 |
| ▸ | SI | P14410 | 1/20 | 0.45 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10085314 | 0.83 | GAA (0.46) | GAAMGAMSIMGAM2CYP3A4 | |
| SCHEMBL24666568 | 0.81 | GAA (0.52) | GAAMGAMSIMGAM2L3MBTL1 | |
| SCHEMBL7140073 | 0.80 | CYP1A2 (0.44) | GAAMGAMSIMGAM2CYP3A4 | |
| SCHEMBL8372325 | 0.79 | HDAC7 (0.47) | GAAMGAMSIMGAM2CYP3A4 | |
| SCHEMBL7088568 | 0.78 | GAA (0.54) | GAAMGAMSIMGAM2CYP3A4 | |
| SCHEMBL7396618 | 0.77 | CYP1A2 (0.42) | GAAMGAMSIMGAM2CYP3A4 | |
| SCHEMBL15201482 | 0.76 | GAA (0.52) | GAAMGAMSIMGAM2CYP1A2 | |
| SCHEMBL1425763 | 0.76 | GAA (0.52) | GAAMGAMSIMGAM2CYP1A2 | |
| SCHEMBL48439 | 0.76 | GAA (0.52) | GAAMGAMSIMGAM2CYP1A2 | |
| SCHEMBL7358388 | 0.76 | CYP1A2 (0.41) | GAAMGAMSIMGAM2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102766145-A | Fluorinated aza imidazolone derivative, synthesis method and application thereof | UNIV SHANGHAI | 2012-11-07 | — | — | CN | disclosed |