Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 20/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.76 |
| ▸ | TDO2 | P48775 | 1/20 | 0.76 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL149285 | 0.87 | IDO1 (1.00) | IDO1TDO2IDO2 | |
| Epacadostat SCHEMBL30521952 | 0.87 | IDO1 (1.00) | IDO1CYP3A4CYP2C9TDO2IDO2 | |
| Epacadostat SCHEMBL145947 | 0.87 | IDO1 (1.00) | IDO1CYP3A4CYP2C9TDO2IDO2 | |
| Epacadostat SCHEMBL148867 | 0.87 | IDO1 (1.00) | IDO1CYP3A4CYP2C9TDO2IDO2 | |
| Epacadostat SCHEMBL19808101 | 0.87 | IDO1 (1.00) | IDO1CYP3A4CYP2C9TDO2IDO2 | |
| SCHEMBL144582 | 0.85 | IDO1 (0.89) | IDO1CYP3A4CYP2C9TDO2IDO2 | |
| SCHEMBL145813 | 0.85 | IDO1 (1.00) | IDO1CYP3A4CYP2C9TDO2IDO2 | |
| SCHEMBL2512595 | 0.84 | IDO1 (1.00) | IDO1CYP3A4CYP2C9TDO2IDO2 | |
| SCHEMBL2521517 | 0.84 | IDO1 (1.00) | IDO1 | |
| SCHEMBL144215 | 0.83 | IDO1 (0.89) | IDO1CYP3A4CYP2C9TDO2IDO2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113527368-B | Preparation method and application of compound and anti-cancer drug | 中国科学技术大学 | 2023-03-10 | — | — | CN | disclosed |
| WO-2023015526-A1 | COMPOUND, PREPARATION METHOD FOR ANTI-CANCER DRUG, AND USE | 中国科学技术大学 | 2023-02-16 | — | — | WO | disclosed |