Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.37 |
| ▸ | HTR2C | P28335 | 4/20 | 0.37 |
| ▸ | HTR2B | P41595 | 4/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ECE1 | P42892 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23217562 | 1.00 | HTR2A (0.37) | HTR2AHTR2CHTR2BDRD2CYP2D6 | |
| SCHEMBL23227197 | 0.88 | HTR2A (0.36) | HTR2AHTR2CHTR2BDRD2ECE1 | |
| SCHEMBL23217250 | 0.87 | HTR2A (0.38) | HTR2AHTR2CHTR2BDRD2CYP2D6 | |
| SCHEMBL23217246 | 0.87 | HTR2A (0.38) | HTR2AHTR2CHTR2BDRD2CYP2D6 | |
| SCHEMBL23217451 | 0.84 | HTR2A (0.40) | HTR2AHTR2CHTR2BDRD2CYP2D6 | |
| SCHEMBL23217321 | 0.83 | HTR2A (0.39) | HTR2AHTR2CHTR2BDRD2KMT2A | |
| SCHEMBL23217461 | 0.83 | HTR2A (0.39) | HTR2AHTR2CHTR2BDRD2KMT2A | |
| SCHEMBL23217435 | 0.81 | HTR2C (0.45) | HTR2AHTR2CHTR2BDRD2KMT2A | |
| SCHEMBL23217775 | 0.80 | HTR2A (0.43) | HTR2AHTR2CHTR2BDRD2CYP2D6 | |
| SCHEMBL23217075 | 0.80 | HTR2A (0.47) | HTR2AHTR2CHTR2BDRD2KMT2A |
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 2 patents. 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 |
| WO-2021071832-A1 | ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2021-04-15 | — | — | WO | disclosed |