Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 9/20 | 0.73 |
| ▸ | IDO1 | P14902 | 5/20 | 0.57 |
| ▸ | BCHE | P06276 | 3/20 | 0.55 |
| ▸ | HTR2B | P41595 | 2/20 | 0.50 |
| ▸ | HTR5A | P47898 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.42 |
| ▸ | CHUK | O15111 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 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 | |
|---|---|---|---|---|
| SCHEMBL28644260 | 1.00 | TDO2 (0.73) | TDO2IDO1BCHEHTR2BHTR5A | |
| SCHEMBL28646202 | 0.90 | TDO2 (0.73) | TDO2IDO1BCHEHTR2BHTR5A | |
| SCHEMBL30923482 | 0.90 | TDO2 (0.73) | TDO2IDO1BCHEHTR2BHTR5A | |
| SCHEMBL30923490 | 0.85 | TDO2 (0.73) | TDO2IDO1BCHEHTR2BHTR5A | |
| SCHEMBL28639491 | 0.85 | TDO2 (0.73) | TDO2IDO1BCHEHTR2BHTR5A | |
| SCHEMBL30923483 | 0.82 | TDO2 (0.74) | TDO2IDO1BCHEHTR2BHTR5A | |
| SCHEMBL28644181 | 0.82 | TDO2 (0.74) | TDO2IDO1BCHEHTR2BHTR5A | |
| SCHEMBL30923486 | 0.80 | IDO1 (0.76) | TDO2IDO1BCHEHTR2BHTR5A | |
| SCHEMBL28657328 | 0.80 | IDO1 (0.76) | TDO2IDO1BCHEHTR2BHTR5A | |
| SCHEMBL29130513 | 0.79 | TDO2 (1.00) | TDO2IDO1BCHEHTR2BHTR5A |
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 |