Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | ELAVL1 | Q15717 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155642 | 0.89 | ALDH1A1 (0.38) | ALDH1A1GAATDP1ALOX15HTT | |
| SCHEMBL21904777 | 0.88 | MAPT (0.47) | ALDH1A1GAATDP1ALOX15HTT | |
| SCHEMBL20155177 | 0.86 | ALOX15 (0.38) | ALDH1A1GAATDP1ALOX15HTT | |
| SCHEMBL20155620 | 0.83 | EGFR (0.37) | CA1CA2CA9EGFRKMT2A | |
| SCHEMBL29074784 | 0.83 | KDM4E (0.41) | ALDH1A1GAAEGFRMEN1MAPT | |
| SCHEMBL20155729 | 0.82 | ALDH1A1 (0.38) | ALDH1A1GAATDP1ALOX15HTT | |
| SCHEMBL21190848 | 0.79 | BRD4 (0.44) | GAACA1CA2CA9MEN1 | |
| SCHEMBL20155461 | 0.79 | TDO2 (0.38) | ALDH1A1GAATDP1ALOX15HTT | |
| SCHEMBL21904937 | 0.76 | RAPGEF4 (0.36) | EGFRMAPTRAPGEF4CYP1A2CYP2C19 | |
| SCHEMBL21904936 | 0.75 | JAK2 (0.34) | CA1CA2CA9EGFR |
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 |