Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 9/20 | 0.38 |
| ▸ | DRD3 | P35462 | 9/20 | 0.38 |
| ▸ | HTR2A | P28223 | 6/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | DRD4 | P21917 | 3/20 | 0.38 |
| ▸ | HTR2C | P28335 | 3/20 | 0.38 |
| ▸ | HTR2B | P41595 | 3/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 2/20 | 0.33 |
| ▸ | XIAP | P98170 | 2/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGAV | P06756 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.32 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23934667 | 0.89 | DRD3 (0.34) | IDO1DRD2DRD3HTR2AHTR1A | |
| SCHEMBL23739448 | 0.86 | KCNH2 (0.43) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL23934655 | 0.86 | IDO1 (0.37) | IDO1DRD2DRD3F10PDGFRB | |
| SCHEMBL23934516 | 0.82 | IDO1 (0.33) | IDO1DRD2DRD3HTR2AHTR1A | |
| SCHEMBL23934723 | 0.82 | F10 (0.33) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL23739830 | 0.81 | IDO1 (0.36) | IDO1KDR | |
| SCHEMBL23739523 | 0.81 | IDO1 (0.36) | IDO1KDRXIAP | |
| SCHEMBL23739619 | 0.80 | IDO1 (0.36) | IDO1KDRXIAP | |
| SCHEMBL23739919 | 0.80 | IDO1 (0.36) | IDO1KDRXIAP | |
| SCHEMBL23739470 | 0.76 | LMNA (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3896062-A1 | ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2021-10-20 | — | — | EP | disclosed |