Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 8/20 | 0.74 |
| ▸ | BCHE | P06276 | 2/20 | 0.52 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.51 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.51 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 4/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | HTR5A | P47898 | 2/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28651658 | 1.00 | TDO2 (0.74) | TDO2BCHECCNB2CDK1CCNB1 | |
| SCHEMBL28644181 | 0.91 | TDO2 (0.74) | TDO2BCHEIDO1HTR2BHTR5A | |
| SCHEMBL30923483 | 0.91 | TDO2 (0.74) | TDO2BCHEIDO1HTR2BHTR5A | |
| SCHEMBL30923482 | 0.82 | TDO2 (0.73) | TDO2BCHECCNB2CDK1CCNB1 | |
| SCHEMBL28646202 | 0.82 | TDO2 (0.73) | TDO2BCHECCNB2CDK1CCNB1 | |
| SCHEMBL30923487 | 0.82 | TDO2 (0.73) | TDO2BCHECCNB2CDK1CCNB1 | |
| SCHEMBL28647777 | 0.82 | TDO2 (0.73) | TDO2BCHECCNB2CDK1CCNB1 | |
| SCHEMBL30923476 | 0.77 | IDO1 (0.76) | TDO2BCHECCNB2CDK1CCNB1 | |
| SCHEMBL28926444 | 0.77 | IDO1 (0.76) | TDO2BCHECCNB2CDK1CCNB1 | |
| SCHEMBL29130513 | 0.76 | TDO2 (1.00) | TDO2BCHEIDO1HTR2BHTR5A |
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-113307806-B | Beta-carboline selective monoamine oxidase B inhibitor and pharmaceutical application thereof | 南京医科大学 | 2024-05-14 | — | — | CN | disclosed |