Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | LPL | P06858 | 1/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 5/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.31 |
| ▸ | CSF1R | P07333 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | LIPE | Q05469 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155117 | 0.88 | ALDH1A1 (0.39) | GAALPLLIPGALDH1A1HTT | |
| SCHEMBL20155177 | 0.87 | ALOX15 (0.38) | GAAALOX15ALDH1A1HTTTDP1 | |
| SCHEMBL20155620 | 0.84 | EGFR (0.37) | EGFRCA1CA2CA9KMT2A | |
| SCHEMBL20155498 | 0.79 | ALDH1A1 (0.36) | GAALPLLIPGALDH1A1EGFR | |
| SCHEMBL20155642 | 0.79 | ALDH1A1 (0.38) | GAAALOX15ALDH1A1HTTTDP1 | |
| SCHEMBL20155574 | 0.79 | ALDH1A1 (0.41) | GAAALOX15ALDH1A1HTTTDP1 | |
| SCHEMBL20155416 | 0.79 | SLC6A2 (0.40) | GAALPLLIPGALDH1A1EGFR | |
| SCHEMBL21904936 | 0.78 | JAK2 (0.34) | LPLLIPGEGFRCA1CA2 | |
| SCHEMBL20155646 | 0.77 | LIPE (0.36) | GAAALDH1A1EGFRMAPK1CA1 | |
| SCHEMBL3743903 | 0.76 | LPL (0.47) | TDO2LPLLIPGEGFRCA1 |
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 |