Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.51 |
| ▸ | BRD4 | O60885 | 2/20 | 0.49 |
| ▸ | NAMPT | P43490 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PDE2A | O00408 | 2/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | PDE6D | O43924 | 1/20 | 0.46 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28510581 | 0.83 | SMN1; SMN2 (0.59) | TP53CYP11B2SMN1; SMN2PDE2AMAPT | |
| SCHEMBL28516171 | 0.83 | THRB (0.50) | TP53TDP1BRD4NAMPTSMN1; SMN2 | |
| SCHEMBL28507636 | 0.82 | ACSS2 (0.59) | TP53LMNABRD4PDE2AALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL15568526 | 0.80 | MAPT (0.58) | TP53TDP1BRD4SMN1; SMN2MAPT | |
| SCHEMBL28514126 | 0.80 | PDE6D (0.47) | TP53GAACYP11B2BRD4NAMPT | |
| SCHEMBL28503579 | 0.78 | ALDH1A1 (0.63) | TP53LMNACYP11B2BRD4SMN1; SMN2 | |
| SCHEMBL28503584 | 0.78 | PIK3CA (0.62) | GAAPOLBPDE2AMAPTALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL15569065 | 0.78 | MAPT (0.56) | TP53GAALMNAPOLBSMN1; SMN2 | |
| SCHEMBL28505411 | 0.75 | DRD2 (0.66) | TP53LMNACYP11B2BRD4SMN1; SMN2 | |
| SCHEMBL28505485 | 0.75 | PPARG (0.58) | GAALMNABRD4ALDH1A1PDE6D |
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 |