Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 3/20 | 0.36 |
| ▸ | PRMT6 | Q96LA8 | 3/20 | 0.36 |
| ▸ | LPL | P06858 | 2/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | RHEB | Q15382 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL29533045 | 0.90 | HSPB1 (0.39) | HSPB1LPLLIPGEGFRALDH1A1 | |
| SCHEMBL15069672 | 0.90 | HSPB1 (0.39) | HSPB1LPLLIPGEGFRALDH1A1 | |
| SCHEMBL21904778 | 0.87 | JAK2 (0.34) | LPLLIPGEGFRJAK2BTK | |
| SCHEMBL20155409 | 0.85 | SLC6A2 (0.39) | EGFRALDH1A1SLC6A2SLC6A3 | |
| SCHEMBL30748970 | 0.84 | LPL (0.40) | MEN1KMT2AHSPB1CARM1PRMT6 | |
| SCHEMBL20160238 | 0.83 | SLC6A4 (0.38) | LPLLIPGEGFRBTKPIK3CG | |
| SCHEMBL21904898 | 0.83 | LPL (0.41) | MEN1KMT2AHSPB1CARM1PRMT6 | |
| SCHEMBL15328685 | 0.82 | BRD4 (0.40) | MEN1KMT2ALPLLIPGMAPT | |
| SCHEMBL20155416 | 0.82 | SLC6A2 (0.40) | LPLLIPGEGFRMAPTALDH1A1 | |
| SCHEMBL20155469 | 0.79 | KDM4E (0.42) | LPLLIPGALDH1A1 |
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 |