Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 10/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAT2A | P31153 | 4/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.31 |
| ▸ | BRD7 | Q9NPI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155066 | 0.87 | MAT2A (0.34) | BRD4ADORA2AADORA1MAT2ANPSR1 | |
| SCHEMBL20155470 | 0.79 | BRD4 (0.35) | BRD4ADORA2AADORA1L3MBTL1MAT2A | |
| SCHEMBL20155118 | 0.79 | NPC1 (0.40) | BRD4MAT2A | |
| SCHEMBL20154966 | 0.79 | BRD4 (0.35) | BRD4BRD9BRD7 | |
| SCHEMBL20155332 | 0.79 | ADORA2A (0.36) | BRD4ADORA2AADORA1MAT2A | |
| SCHEMBL30975393 | 0.78 | — | — | |
| SCHEMBL20155436 | 0.76 | TLR8 (0.41) | BRD4 | |
| SCHEMBL20155089 | 0.75 | PSMB5 (0.31) | BRD4L3MBTL1 | |
| SCHEMBL20155605 | 0.75 | — | — | |
| SCHEMBL20155133 | 0.74 | ADORA2A (0.37) | ADORA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112300154-B | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 上海弘翊生物科技有限公司 | 2023-01-24 | — | — | CN | disclosed |
| CN-112300154-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 上海弘翊生物科技有限公司 | 2021-02-02 | — | — | CN | disclosed |
| 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 |