Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 20/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.74 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.74 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | TDO2 | P48775 | 1/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL20905247 | 1.00 | IDO1 (0.76) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL20916336 | 0.91 | IDO1 (0.76) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL20916344 | 0.91 | IDO1 (0.76) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL20916333 | 0.91 | IDO1 (0.76) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL23801484 | 0.89 | IDO1 (0.75) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL20956235 | 0.89 | IDO1 (0.90) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL20905250 | 0.89 | IDO1 (0.90) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL17746339 | 0.89 | IDO1 (0.89) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL17746338 | 0.89 | IDO1 (0.89) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL20905191 | 0.88 | IDO1 (0.94) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019141095-A1 | AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |