Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | SOD1 | P00441 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28345044 | 0.75 | — | — | |
| SCHEMBL5422997 | 0.74 | LMNA (0.42) | TSHRMAPTCYP3A4IDO1CYP2C19 | |
| SCHEMBL811578 | 0.69 | ALDH1A1 (0.59) | TSHRMAPTAHRTP53CYP3A4 | |
| SCHEMBL28466177 | 0.68 | CA12 (0.33) | IDO1SOD1 | |
| SCHEMBL10706723 | 0.67 | TSHR (0.57) | TSHRMAPTAHRTP53CYP3A4 | |
| SCHEMBL28881521 | 0.66 | — | — | |
| 1,3,5-Trichlorobenzene SCHEMBL429512 | 0.65 | — | — | |
| SCHEMBL12363682 | 0.63 | TSHR (0.42) | TSHRMAPT | |
| SCHEMBL1547675 | 0.63 | TSHR (0.42) | TSHRMAPTAHRTP53CYP3A4 | |
| SCHEMBL13019811 | 0.63 | TSHR (0.42) | TSHRMAPTAHRTP53CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113698388-B | 6-oxo-1, 6-dihydropyridine derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-113698388-A | 6-oxo-1, 6-dihydropyridine derivatives, preparation method and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2021-11-26 | — | — | CN | disclosed |