Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 20/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.49 |
| ▸ | TDO2 | P48775 | 2/20 | 0.49 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17729178 | 1.00 | IDO1 (0.52) | IDO1CYP2C9CYP2C8TDO2CHRNA1 | |
| SCHEMBL21836426 | 1.00 | IDO1 (0.52) | IDO1CYP2C9CYP2C8TDO2CHRNA1 | |
| SCHEMBL21035079 | 0.89 | IDO1 (0.56) | IDO1CYP2C9CYP2C8TDO2CHRNA1 | |
| SCHEMBL22387491 | 0.89 | IDO1 (0.56) | IDO1CYP2C9CYP2C8TDO2CHRNA1 | |
| SCHEMBL22270748 | 0.88 | IDO1 (0.45) | IDO1CYP2C9CYP2C8TDO2CHRNA1 | |
| SCHEMBL22270743 | 0.88 | IDO1 (0.45) | IDO1CYP2C9CYP2C8TDO2CHRNA1 | |
| SCHEMBL28332972 | 0.88 | IDO1 (0.45) | IDO1CYP2C9CYP2C8TDO2CHRNA1 | |
| SCHEMBL22387554 | 0.88 | IDO1 (0.45) | IDO1CYP2C9CYP2C8TDO2CHRNA1 | |
| SCHEMBL22387556 | 0.88 | IDO1 (0.45) | IDO1CYP2C9CYP2C8TDO2CHRNA1 | |
| SCHEMBL28332970 | 0.88 | IDO1 (0.45) | IDO1CYP2C9CYP2C8TDO2CHRNA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117120423-A | Novel indoleamine 2,3-dioxygenase inhibitors, process for preparing the same and pharmaceutical compositions containing the same | 柳韩洋行 | 2023-11-24 | — | — | CN | disclosed |
| CN-110092750-B | Pentafluoro sulfanyl substituted amide compound, preparation method and application thereof in medicine | 北京诺诚健华医药科技有限公司 | 2023-07-21 | — | — | CN | disclosed |
| CN-111247119-B | Amidine and guanidine derivatives, preparation method and application thereof in medicines | 四川科伦博泰生物医药股份有限公司 | 2023-02-03 | — | — | CN | disclosed |