Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | DRD2 | P14416 | 12/20 | 0.42 |
| ▸ | DRD3 | P35462 | 11/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 5/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 3/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23934512 | 0.86 | IDO1 (0.39) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL23739671 | 0.86 | ADRA1B (0.40) | DRD2DRD3DRD4HTR1AADRA1D | |
| SCHEMBL23739921 | 0.86 | DRD2 (0.41) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL23739920 | 0.86 | HTR1A (0.42) | KCNH2DRD2DRD3DRD4HTR1A | |
| SCHEMBL23739648 | 0.85 | DRD2 (0.47) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL23739541 | 0.85 | HTR1A (0.39) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL23739619 | 0.85 | IDO1 (0.36) | — | |
| SCHEMBL23739919 | 0.85 | IDO1 (0.36) | — | |
| SCHEMBL23739641 | 0.84 | DRD2 (0.48) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL23739523 | 0.84 | IDO1 (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-3862348-A1 | ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2021-08-11 | — | — | EP | disclosed |