Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 8/20 | 0.34 |
| ▸ | PNLIP | P16233 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155692 | 0.88 | SLC6A2 (0.34) | BRD4SLC6A4KCNH2 | |
| SCHEMBL20155472 | 0.88 | SCN9A (0.35) | BRD4 | |
| SCHEMBL20155030 | 0.86 | SCN9A (0.34) | — | |
| SCHEMBL20155007 | 0.84 | SLC6A2 (0.35) | BRD4SLC6A4 | |
| SCHEMBL20155073 | 0.83 | BRD4 (0.38) | ALDH1A1MAPTHPGDKMT2ALMNA | |
| SCHEMBL20155291 | 0.82 | BRD4 (0.42) | BRD4BRDT | |
| SCHEMBL20155487 | 0.78 | BRD4 (0.33) | BRD4 | |
| SCHEMBL20155038 | 0.74 | BRD4 (0.42) | BRD4BRDT | |
| SCHEMBL20155186 | 0.74 | TDO2 (0.31) | — | |
| SCHEMBL20155097 | 0.74 | BRD4 (0.37) | BRD4 |
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 |