Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 11/20 | 0.42 |
| ▸ | HTR2C | P28335 | 11/20 | 0.42 |
| ▸ | HTR2B | P41595 | 7/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23217297 | 1.00 | HTR2A (0.42) | HTR2AHTR2CHTR2BDRD2DRD1 | |
| SCHEMBL23217190 | 0.88 | HTR2C (0.41) | HTR2AHTR2CHTR2BDRD2DRD1 | |
| SCHEMBL23227254 | 0.83 | HTR2A (0.40) | HTR2AHTR2CHTR2BEGFRERBB2 | |
| SCHEMBL23217149 | 0.80 | HTR2C (0.45) | HTR2AHTR2CHTR2BDRD2EGFR | |
| SCHEMBL23217543 | 0.78 | HTR2A (0.42) | HTR2AHTR2CHTR2BDRD2DRD1 | |
| SCHEMBL23217318 | 0.76 | HTR2C (0.41) | HTR2AHTR2CHTR2BDRD2ALDH1A1 | |
| SCHEMBL23217279 | 0.75 | HTR2A (0.39) | HTR2AHTR2CHTR2BDRD2EGFR | |
| SCHEMBL23227188 | 0.75 | HTR2A (0.44) | HTR2AHTR2CHTR2BDRD2ERBB2 | |
| SCHEMBL23217282 | 0.75 | HTR2A (0.39) | HTR2AHTR2CHTR2BDRD2EGFR | |
| SCHEMBL25034600 | 0.75 | HTR2A (0.45) | HTR2AHTR2CHTR2BDRD2ALDH1A1 |
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-4041405-A1 | ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. Shaw Research, LLC (US) | 2022-08-17 | — | — | EP | disclosed |