Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 20/20 | 0.61 |
| ▸ | TDO2 | P48775 | 8/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.61 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187118 | 1.00 | IDO1 (0.61) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21187173 | 0.91 | IDO1 (0.63) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21187117 | 0.90 | IDO1 (0.51) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL28415476 | 0.88 | IDO1 (0.58) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL23130337 | 0.85 | IDO1 (0.64) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL17730064 | 0.85 | IDO1 (0.72) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL17730004 | 0.85 | IDO1 (0.72) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL17730005 | 0.85 | IDO1 (0.72) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21187091 | 0.85 | IDO1 (0.77) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21289882 | 0.80 | IDO1 (0.64) | IDO1TDO2CYP2C9CYP2C8CYP3A4 |
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 |