Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 15/20 | 0.58 |
| ▸ | TDO2 | P48775 | 8/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.57 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.48 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.47 |
| ▸ | CDK9 | P50750 | 2/20 | 0.47 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21034703 | 1.00 | IDO1 (0.58) | IDO1TDO2CYP2C9CYP2C8SMN1; SMN2 | |
| SCHEMBL21289908 | 0.87 | IDO1 (0.47) | IDO1TDO2CYP2C9CYP2C8CCNT1 | |
| SCHEMBL21061181 | 0.86 | IDO1 (0.50) | IDO1TDO2CYP2C9CYP2C8GPR119 | |
| SCHEMBL21138406 | 0.86 | MAPK7 (0.46) | IDO1TDO2CYP2C9CYP2C8GPR119 | |
| SCHEMBL22270527 | 0.85 | IDO1 (0.49) | IDO1TDO2CYP2C9CYP2C8CCNT1 | |
| SCHEMBL22387529 | 0.85 | IDO1 (0.49) | IDO1TDO2CYP2C9CYP2C8CCNT1 | |
| SCHEMBL21138146 | 0.85 | GPR119 (0.51) | IDO1TDO2GPR119 | |
| SCHEMBL22635719 | 0.85 | IDO1 (0.61) | IDO1TDO2CYP2C9CYP2C8CCNT1 | |
| SCHEMBL22635755 | 0.85 | IDO1 (0.49) | IDO1TDO2CYP2C9CYP2C8CCNT1 | |
| SCHEMBL21138143 | 0.85 | IDO1 (0.59) | IDO1TDO2GPR119CDK9 |
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-112384502-B | Cycloalkyl-substituted amide derivatives, preparation method and medical application thereof | 上海海雁医药科技有限公司 | 2022-11-08 | — | — | CN | disclosed |