Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | PDE2A | O00408 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28508255 | 0.82 | BRD4 (0.52) | CYP2C19ALDH1A1 | |
| SCHEMBL28507636 | 0.80 | ACSS2 (0.59) | PDE2AALDH1A1PTGER4 | |
| SCHEMBL28503586 | 0.79 | BRD4 (0.51) | PDE2AALDH1A1 | |
| SCHEMBL28514126 | 0.79 | PDE6D (0.47) | PIK3CAHPGDPDE2AKDM4EALDH1A1 | |
| SCHEMBL28510597 | 0.78 | ACSS2 (0.61) | — | |
| SCHEMBL28513264 | 0.78 | TP53 (0.53) | PDE2AMAPTALDH1A1GAAPOLB | |
| SCHEMBL28516171 | 0.78 | THRB (0.50) | PDE2AMAPTALDH1A1 | |
| SCHEMBL2162541 | 0.78 | KMT2A (0.90) | PIK3CAKMT2AMAPTPOLBMEN1 | |
| SCHEMBL28503579 | 0.77 | ALDH1A1 (0.63) | HPGDKDM4EMAPTALDH1A1HSD17B10 | |
| SCHEMBL28510581 | 0.76 | SMN1; SMN2 (0.59) | PDE2AMAPTPTGER4 |
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 |