Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.32 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 4/20 | 0.30 |
| ▸ | FLT1 | P17948 | 3/20 | 0.30 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.30 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | EGFR | P00533 | 2/20 | 0.30 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.30 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155062 | 0.89 | MAPK14 (0.39) | BRD4TSHRMAPK14MAP2K1MAP2K2 | |
| SCHEMBL20155632 | 0.86 | BPTF (0.37) | BRD4KMT2A | |
| SCHEMBL20155508 | 0.83 | BRD4 (0.32) | BRD4MAPK14 | |
| SCHEMBL20155138 | 0.77 | MAPK14 (0.36) | BRD4MAPK14KMT2A | |
| SCHEMBL20155590 | 0.77 | MAPK14 (0.36) | BRD4MAPK14MAP2K1MAP2K2KMT2A | |
| SCHEMBL20155748 | 0.75 | MAPK14 (0.34) | BRD4MAPK14KMT2A | |
| SCHEMBL20155186 | 0.74 | TDO2 (0.31) | — | |
| SCHEMBL20155507 | 0.74 | BRD4 (0.39) | BRD4 | |
| SCHEMBL20155156 | 0.73 | BPTF (0.33) | BRD4KMT2A | |
| SCHEMBL20155483 | 0.73 | MAPK14 (0.37) | BRD4MAPK14KMT2A |
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 |