Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.42 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SCN4A | P35499 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.32 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155120 | 0.85 | ALDH1A1 (0.40) | BRD4HSPB1ALDH1A1PTGS2 | |
| SCHEMBL15069672 | 0.79 | HSPB1 (0.39) | BRD4HSPB1ALDH1A1PTGS2 | |
| SCHEMBL29533045 | 0.79 | HSPB1 (0.39) | BRD4HSPB1ALDH1A1PTGS2 | |
| SCHEMBL22858968 | 0.77 | HSPB1 (0.39) | BRD4HSPB1ALDH1A1GAAMAPT | |
| SCHEMBL20154948 | 0.75 | EPAS1 (0.46) | BRD4HSPB1LMNAHTTALDH1A1 | |
| SCHEMBL21191032 | 0.75 | BRD4 (0.45) | BRD4ALDH1A1GAAL3MBTL1MAPT | |
| SCHEMBL31073743 | 0.75 | HSPB1 (0.38) | BRD4HSPB1CARM1PTGS2 | |
| SCHEMBL20155663 | 0.75 | HSPB1 (0.36) | HSPB1ALDH1A1PTGS2 | |
| SCHEMBL15069481 | 0.73 | BRD4 (0.48) | BRD4HSPB1PTGS2 | |
| SCHEMBL21904915 | 0.73 | HSPB1 (0.39) | BRD4HSPB1PTGS2 |
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 |