Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 20/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.54 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | TDO2 | P48775 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28699362 | 1.00 | IDO1 (0.55) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL29351132 | 1.00 | IDO1 (0.55) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL17729117 | 0.93 | IDO1 (0.56) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL19900710 | 0.90 | IDO1 (0.55) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL19900711 | 0.90 | IDO1 (0.55) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL19900646 | 0.89 | IDO1 (0.53) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL28682421 | 0.89 | IDO1 (0.58) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL28682418 | 0.89 | IDO1 (0.58) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL21475931 | 0.88 | IDO1 (0.65) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL21187108 | 0.88 | IDO1 (0.65) | 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 |
|---|---|---|---|---|---|---|---|
| CN-109574988-B | Compound and application thereof | 成都海博锐药业有限公司 | 2022-01-25 | — | — | CN | disclosed |