Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 3/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 4/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.31 |
| ▸ | BRD7 | Q9NPI1 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155118 | 0.81 | NPC1 (0.40) | BRD4KDM4EMEN1NPC1ALDH1A1 | |
| SCHEMBL20155045 | 0.79 | ALDH1A1 (0.39) | BRD4KDM4EMEN1ALDH1A1POLB | |
| SCHEMBL20155565 | 0.77 | CNR2 (0.37) | CNR2TOP2AKAT2BTERTKDM4E | |
| SCHEMBL20155115 | 0.74 | ADORA3 (0.50) | BRD4KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL20155003 | 0.74 | BRD4 (0.36) | BRD4BRD9BRD7 | |
| SCHEMBL20154927 | 0.71 | MAT2A (0.40) | KDM4EMEN1NPC1ALDH1A1KMT2A | |
| SCHEMBL20155332 | 0.69 | ADORA2A (0.36) | BRD4 | |
| SCHEMBL20154966 | 0.69 | BRD4 (0.35) | BRD4BRD9BRD7 | |
| SCHEMBL20155605 | 0.69 | — | — | |
| SCHEMBL15229791 | 0.68 | PDE4A (0.39) | TOP2ATERTKDM4EMEN1NPC1 |
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 |