Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | EPHA2 | P29317 | 3/20 | 0.33 |
| ▸ | EPHB4 | P54760 | 3/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SUV39H2 | Q9H5I1 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25034601 | 1.00 | HTR2A (0.38) | HTR2AHTR2CHTR2BPDE4BSTS | |
| SCHEMBL28950070 | 0.88 | HTR2A (0.39) | HTR2AHTR2CHTR2BPDE4BSTS | |
| SCHEMBL25034722 | 0.88 | HTR2A (0.39) | HTR2AHTR2CHTR2BPDE4BSTS | |
| SCHEMBL23227254 | 0.88 | HTR2A (0.40) | HTR2AHTR2CHTR2BPDE4BSTS | |
| SCHEMBL23217279 | 0.87 | HTR2A (0.39) | HTR2AHTR2CHTR2BALDH1A1ERBB2 | |
| SCHEMBL23217282 | 0.87 | HTR2A (0.39) | HTR2AHTR2CHTR2BALDH1A1ERBB2 | |
| SCHEMBL23227188 | 0.87 | HTR2A (0.44) | HTR2AHTR2CHTR2BPDE4BSTS | |
| SCHEMBL23227463 | 0.85 | HTR2A (0.40) | HTR2AHTR2CHTR2BPDE4BSTS | |
| SCHEMBL25034592 | 0.81 | HTR2A (0.43) | HTR2AHTR2CHTR2BPDE4BSTS | |
| SCHEMBL23227206 | 0.81 | HTR2A (0.42) | HTR2AHTR2CHTR2BPDE4BSTS |
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 |
| CN-114828963-A | Arylheterobicyclic compounds as Kv1.3 potassium SHAKER channel blockers | D·E·萧尔研究有限责任公司 | 2022-07-29 | — | — | CN | disclosed |