Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 8/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23739905 | 0.90 | DRD2 (0.45) | HTR1A | |
| SCHEMBL23739600 | 0.90 | KDM4E (0.40) | ADRA1DADRA1AADRA1B | |
| SCHEMBL23739920 | 0.90 | HTR1A (0.42) | HTR1A | |
| SCHEMBL23739676 | 0.89 | HTR1A (0.44) | ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL23739541 | 0.89 | HTR1A (0.39) | ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL23739575 | 0.88 | HTR1A (0.39) | HTR1A | |
| SCHEMBL23739670 | 0.88 | DRD2 (0.42) | ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL23739827 | 0.87 | ADRA1A (0.38) | ADRA1DADRA1AADRA1B | |
| SCHEMBL23739716 | 0.87 | KCNH2 (0.43) | HTR1A | |
| SCHEMBL23739669 | 0.87 | DRD2 (0.37) | HTR1A |
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 |