Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.76 |
| ▸ | TDO2 | P48775 | 6/20 | 0.59 |
| ▸ | 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 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 3/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.50 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | HTR5A | P47898 | 2/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28657328 | 1.00 | IDO1 (0.76) | IDO1TDO2CCNB2CDK1CCNB1 | |
| SCHEMBL28926444 | 0.91 | IDO1 (0.76) | IDO1TDO2CCNB2CDK1CCNB1 | |
| SCHEMBL30923476 | 0.91 | IDO1 (0.76) | IDO1TDO2CCNB2CDK1CCNB1 | |
| SCHEMBL28644260 | 0.80 | TDO2 (0.73) | IDO1TDO2CCNB2CDK1CCNB1 | |
| SCHEMBL30923490 | 0.80 | TDO2 (0.73) | IDO1TDO2CCNB2CDK1CCNB1 | |
| SCHEMBL30923477 | 0.80 | TDO2 (0.73) | IDO1TDO2CCNB2CDK1CCNB1 | |
| SCHEMBL28639491 | 0.80 | TDO2 (0.73) | IDO1TDO2CCNB2CDK1CCNB1 | |
| SCHEMBL30923483 | 0.77 | TDO2 (0.74) | IDO1TDO2BCHEHTR2BHTR5A | |
| SCHEMBL28644181 | 0.77 | TDO2 (0.74) | IDO1TDO2BCHEHTR2BHTR5A | |
| SCHEMBL29130513 | 0.74 | TDO2 (1.00) | IDO1TDO2BCHEHTR2BHTR5A |
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 |