Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.39 |
| ▸ | FEN1 | P39748 | 3/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | LIPE | Q05469 | 7/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | FPR2 | P25090 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL15069404 | 0.82 | AR (0.39) | PDE4BKDM4EMEN1KMT2AUSP2 | |
| SCHEMBL20155520 | 0.77 | KEAP1 (0.46) | PDE4BALOX5APFEN1KEAP1OPRM1 | |
| SCHEMBL20155450 | 0.74 | ALOX5AP (0.45) | PDE4BALOX5APFEN1KEAP1OPRM1 | |
| SCHEMBL2527256 | 0.73 | PDE4B (0.52) | PDE4BOPRM1LIPEKDM4EALDH1A1 | |
| SCHEMBL20155393 | 0.73 | KDM4E (0.42) | KDM4EMEN1KMT2AUSP2ALDH1A1 | |
| SCHEMBL20155469 | 0.73 | KDM4E (0.42) | KDM4EUSP2ALDH1A1 | |
| SCHEMBL18605502 | 0.71 | ALDH1A1 (0.41) | KDM4EMEN1KMT2AUSP2ALDH1A1 | |
| SCHEMBL15328685 | 0.71 | BRD4 (0.40) | MEN1KMT2AALDH1A1 | |
| SCHEMBL30083309 | 0.70 | AR (0.42) | KDM4EUSP2ALDH1A1EGFR | |
| SCHEMBL1303766 | 0.70 | AR (0.42) | KDM4EUSP2ALDH1A1EGFR |
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 |