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 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | IL1B | P01584 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 1/20 | 0.34 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29845082 | 1.00 | HTR2A (0.38) | HTR2AHTR2CHTR2BDRD2PDE4B | |
| SCHEMBL23227262 | 1.00 | HTR2A (0.38) | HTR2AHTR2CHTR2BDRD2PDE4B | |
| Trifluoroacetic Acid SCHEMBL29845129 | 0.95 | DRD2 (0.35) | HTR2AHTR2CHTR2BDRD2PDE4B | |
| SCHEMBL23227266 | 0.93 | HTR2A (0.39) | HTR2AHTR2CHTR2BDRD2PDE4B | |
| SCHEMBL25034584 | 0.91 | HTR2A (0.40) | HTR2AHTR2CHTR2BDRD2PDE4B | |
| SCHEMBL29885954 | 0.91 | HTR2A (0.40) | HTR2AHTR2CHTR2BDRD2PDE4B | |
| SCHEMBL23216292 | 0.91 | HTR2A (0.40) | HTR2AHTR2CHTR2BDRD2PDE4B | |
| SCHEMBL23239721 | 0.91 | HTR2A (0.40) | HTR2AHTR2CHTR2BDRD2PDE4B | |
| SCHEMBL23239722 | 0.86 | HTR2A (0.41) | HTR2AHTR2CHTR2BDRD2PDE4B | |
| SCHEMBL25034582 | 0.86 | HTR2A (0.41) | HTR2AHTR2CHTR2BDRD2PDE4B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021071832-A1 | ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2021-04-15 | — | — | WO | disclosed |