Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 15/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187212 | 0.85 | IDO1 (0.64) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL20838627 | 0.83 | IDO1 (0.64) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL21187125 | 0.83 | IDO1 (0.50) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL21187200 | 0.82 | IDO1 (0.61) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL28415482 | 0.82 | IDO1 (0.61) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL23111225 | 0.81 | IDO1 (1.00) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL17742849 | 0.81 | IDO1 (1.00) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL17742848 | 0.81 | IDO1 (1.00) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL17730125 | 0.81 | IDO1 (1.00) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL17742847 | 0.81 | IDO1 (1.00) | 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 |