Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 5/20 | 0.34 |
| ▸ | BRD4 | O60885 | 4/20 | 0.34 |
| ▸ | BRD2 | P25440 | 2/20 | 0.34 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | PDE9A | O76083 | 1/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28520363 | 0.80 | HTT (0.38) | CREBBPBRD4ALDH1A1SMN1; SMN2 | |
| SCHEMBL20155328 | 0.70 | HTT (0.41) | BRD4KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL20155369 | 0.68 | KDM4E (0.33) | KDM4E | |
| SCHEMBL20155332 | 0.68 | ADORA2A (0.36) | CREBBPBRD4BRD2BRD3 | |
| SCHEMBL9726416 | 0.67 | ALDH1A1 (0.46) | PDE1CKDM4EALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL21224811 | 0.67 | BRD4 (0.37) | BRD4 | |
| SCHEMBL20154923 | 0.66 | BRD4 (0.38) | BRD4 | |
| SCHEMBL21363594 | 0.66 | IMPDH2 (0.36) | PDE1CKDM4EALDH1A1 | |
| SCHEMBL30975384 | 0.66 | LMNA (0.35) | BRD4ALDH1A1 | |
| SCHEMBL16651029 | 0.65 | BRD9 (0.45) | BRD4CYP1A2CYP2C19 |
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 |