Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL2305222 | 0.87 | HSD17B1 (0.50) | ESR1ESR2KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL265881 | 0.85 | L3MBTL1 (0.56) | KDM4EHPGDSMN1; SMN2ALOX5CYP1A2 | |
| SCHEMBL6242519 | 0.84 | ABCC4 (0.69) | ESR1ESR2ABCC4LMNAGAA | |
| SCHEMBL6296732 | 0.82 | CYP11B1 (0.54) | ESR1ESR2HPGDSMN1; SMN2MEN1 | |
| SCHEMBL1928476 | 0.81 | LMNA (0.69) | ABCC4LMNAGAATSHRPTGS1 | |
| SCHEMBL18537208 | 0.80 | L3MBTL1 (0.51) | PTGS1KDM4EHPGDSMN1; SMN2ALOX5 | |
| SCHEMBL13478513 | 0.79 | RXRA (0.50) | ESR1ABCC4LMNAGAATSHR | |
| SCHEMBL12243166 | 0.79 | MAPT (0.53) | ESR1ESR2LMNAGAAKDM4E | |
| SCHEMBL5048312 | 0.77 | SLC6A2 (0.51) | ESR1ESR2TSHRKDM4EHPGD | |
| SCHEMBL18260221 | 0.77 | MAPT (0.64) | ESR1ESR2LMNAGAAKDM4E |
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-108117516-B | Preparation method and application of polysubstituted pyridine derivative | 浙江工业大学 | 2021-01-19 | — | — | CN | disclosed |