Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 4/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.31 |
| ▸ | PYGL | P06737 | 1/20 | 0.31 |
| ▸ | GBA2 | Q9HCG7 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | GLB1 | P16278 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL27814943 | 0.97 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2TSHRHIF1A | |
| Pyrrolidine SCHEMBL28301447 | 0.96 | — | — | |
| Ethylene Glycol SCHEMBL5475929 | 0.84 | — | — | |
| Piperidine SCHEMBL2914572 | 0.84 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2TSHR | |
| Piperidine SCHEMBL676507 | 0.84 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2TSHR | |
| Piperidine SCHEMBL66142 | 0.83 | — | — | |
| Piperazine SCHEMBL9877421 | 0.81 | HIF1A (0.55) | ALDH1A1CXCR4SMN1; SMN2TSHRHIF1A | |
| SCHEMBL6937080 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| Azepane SCHEMBL26492 | 0.80 | — | — | |
| SCHEMBL3064139 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109153665-A | Novel 2-substituted indazoles, method for the production thereof, pharmaceutical preparations containing the same and use thereof for producing medicaments | 拜耳医药股份有限公司 | 2019-01-04 | — | — | CN | claimed |
| CN-105218804-A | A kind of synthetic method of Hydrin glycol piperidines grafted linear benzene sulfonamide acid esters | DING YUQIN | 2016-01-06 | — | — | CN | claimed |
| CN-105218804-A | A kind of synthetic method of Hydrin glycol piperidines grafted linear benzene sulfonamide acid esters | DING YUQIN | 2016-01-06 | — | — | CN | disclosed |
| CN-105218804-A | A kind of synthetic method of Hydrin glycol piperidines grafted linear benzene sulfonamide acid esters | DING YUQIN | 2016-01-06 | — | — | CN | disclosed |
| CN-105218804-A | A kind of synthetic method of Hydrin glycol piperidines grafted linear benzene sulfonamide acid esters | DING YUQIN | 2016-01-06 | — | — | CN | disclosed |