Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.50 |
| ▸ | BRD4 | O60885 | 7/20 | 0.46 |
| ▸ | PDE4A | P27815 | 3/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | 0.79 | NPC1 (0.40) | BRD4ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL20155616 | 0.77 | ALDH1A1 (0.38) | ADORA3BRD4PDE4APDE4BPDE4C | |
| SCHEMBL29455896 | 0.75 | ADORA3 (0.45) | ADORA3BRD4PDE4APDE4BPDE4C | |
| SCHEMBL20155109 | 0.75 | ADORA3 (0.56) | ADORA3PARP1ADORA2AADORA1ALDH1A1 | |
| SCHEMBL20155045 | 0.74 | ALDH1A1 (0.39) | BRD4ALDH1A1CYP1A2KDM4EMEN1 | |
| SCHEMBL20155529 | 0.74 | CNR2 (0.40) | BRD4ALDH1A1KDM4EMEN1LMNA | |
| SCHEMBL20155003 | 0.72 | BRD4 (0.36) | BRD4ADORA2AADORA1NPSR1 | |
| SCHEMBL15554968 | 0.69 | NPC1 (0.44) | ADORA3ADORA2AADORA1ALDH1A1NPSR1 | |
| SCHEMBL20154927 | 0.69 | MAT2A (0.40) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL1169735 | 0.69 | HDAC8 (0.49) | ADORA3PARP1ADORA2AADORA1 |
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 |