Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 8/20 | 0.51 |
| ▸ | ACSS2 | Q9NR19 | 6/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | PDE6D | O43924 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28503588 | 0.82 | BRD4 (0.42) | BRD4ACSS2PDE6DALDH1A1ALDH2 | |
| SCHEMBL28503584 | 0.79 | PIK3CA (0.62) | PDE2AALDH1A1 | |
| SCHEMBL28507636 | 0.77 | ACSS2 (0.59) | BRD4ACSS2PDE2APDE6DALDH1A1 | |
| SCHEMBL28514126 | 0.76 | PDE6D (0.47) | BRD4ACSS2PDE2APDE6DALDH1A1 | |
| SCHEMBL28513264 | 0.75 | TP53 (0.53) | BRD4PDE2APDE6DALDH1A1ALDH2 | |
| SCHEMBL28516171 | 0.75 | THRB (0.50) | BRD4PDE2APDE6DALDH1A1ALDH2 | |
| SCHEMBL28001720 | 0.75 | BRD4 (0.54) | BRD4 | |
| SCHEMBL28503579 | 0.74 | ALDH1A1 (0.63) | BRD4ACSS2PDE6DALDH1A1ALDH2 | |
| SCHEMBL28510581 | 0.74 | SMN1; SMN2 (0.59) | ACSS2PDE2A | |
| SCHEMBL28505411 | 0.73 | DRD2 (0.66) | BRD4ACSS2PDE6DALDH1A1ALDH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107311933-B | Benzimidazole derivative, preparation method and application thereof | 中国人民解放军军事医学科学院毒物药物研究所 | 2020-12-22 | — | — | CN | disclosed |