Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 20/20 | 0.54 |
| ▸ | TDO2 | P48775 | 5/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21475951 | 1.00 | IDO1 (0.54) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21475838 | 1.00 | IDO1 (0.54) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL22274143 | 0.88 | IDO1 (0.56) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL20935273 | 0.88 | IDO1 (0.56) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL20935292 | 0.87 | IDO1 (0.68) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL28488089 | 0.84 | IDO1 (0.56) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21475954 | 0.84 | IDO1 (0.56) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21475837 | 0.84 | IDO1 (0.56) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21465844 | 0.83 | IDO1 (0.79) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21475862 | 0.83 | IDO1 (0.79) | 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 |
|---|---|---|---|---|---|---|---|
| CN-112004790-A | Novel indoleamine 2, 3-dioxygenase inhibitor and preparation method and application thereof | 信达生物制药(苏州)有限公司 | 2020-11-27 | — | — | CN | disclosed |