Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 16/20 | 0.56 |
| ▸ | TDO2 | P48775 | 7/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.56 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.44 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28513610 | 1.00 | IDO1 (0.56) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL28521383 | 0.87 | IDO1 (0.53) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL28521384 | 0.87 | IDO1 (0.53) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL28516326 | 0.82 | IDO1 (0.47) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL28516327 | 0.82 | IDO1 (0.47) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL28513016 | 0.81 | AKR1C3 (0.51) | IDO1CYP2C9CYP3A4PSEN1PSEN2 | |
| SCHEMBL28513014 | 0.81 | AKR1C3 (0.51) | IDO1CYP2C9CYP3A4PSEN1PSEN2 | |
| SCHEMBL28523040 | 0.80 | IDO1 (0.47) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL28523042 | 0.80 | IDO1 (0.47) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL28513119 | 0.79 | CIT (0.54) | 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-110218182-B | IDO inhibitors | 南京亘泰医药技术有限公司 | 2021-01-26 | — | — | CN | disclosed |