Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 9/20 | 0.41 |
| ▸ | HTR2C | P28335 | 9/20 | 0.41 |
| ▸ | HTR2B | P41595 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL23217133 | 1.00 | HTR2A (0.41) | HTR2AHTR2CHTR2BKDM4EDRD2 | |
| SCHEMBL23217394 | 0.93 | HTR2A (0.42) | HTR2AHTR2CHTR2BKDM4EDRD2 | |
| SCHEMBL23227412 | 0.87 | HTR2A (0.40) | HTR2AHTR2CHTR2B | |
| SCHEMBL23217435 | 0.83 | HTR2C (0.45) | HTR2AHTR2CHTR2BKDM4EDRD2 | |
| SCHEMBL23217052 | 0.83 | HTR2A (0.39) | HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL23217368 | 0.83 | HTR2A (0.36) | HTR2AHTR2CHTR2BCYP2D6MTNR1B | |
| SCHEMBL23217075 | 0.80 | HTR2A (0.47) | HTR2AHTR2CHTR2BKDM4EDRD2 | |
| SCHEMBL23227255 | 0.80 | HTR2A (0.41) | HTR2AHTR2CHTR2B | |
| SCHEMBL23217149 | 0.79 | HTR2C (0.45) | HTR2AHTR2CHTR2BKDM4EDRD2 | |
| SCHEMBL23217480 | 0.78 | HTR2C (0.44) | HTR2AHTR2CHTR2BDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |