Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LIPE | Q05469 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155574 | 0.89 | ALDH1A1 (0.41) | ALDH1A1GAAALOX15HTTTDP1 | |
| SCHEMBL20155177 | 0.84 | ALOX15 (0.38) | ALDH1A1GAAALOX15HTTTDP1 | |
| SCHEMBL21904777 | 0.82 | MAPT (0.47) | ALDH1A1GAAALOX15HTTTDP1 | |
| SCHEMBL20155620 | 0.81 | EGFR (0.37) | EGFRCA1CA2CA9LIPE | |
| SCHEMBL20155461 | 0.79 | TDO2 (0.38) | ALDH1A1GAAALOX15HTTTDP1 | |
| SCHEMBL29074784 | 0.78 | KDM4E (0.41) | ALDH1A1GAAEGFRMAPTLIPE | |
| SCHEMBL21904937 | 0.76 | RAPGEF4 (0.36) | EGFRMAPTRAPGEF4 | |
| SCHEMBL21904936 | 0.75 | JAK2 (0.34) | EGFRCA1CA2CA9 | |
| SCHEMBL20155117 | 0.75 | ALDH1A1 (0.39) | ALDH1A1GAAHTTEGFRCA1 | |
| SCHEMBL12481678 | 0.75 | CYP3A4 (0.42) | ALDH1A1GAAALOX15EGFRCA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |