Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNB1 | Q14721 | 14/20 | 0.68 |
| ▸ | KCNB2 | Q92953 | 1/20 | 0.68 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.48 |
| ▸ | KCNK2 | O95069 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28402250 | 0.86 | KCNB1 (0.83) | KCNB1KCNB2KCNA5KCNH2KCNK2 | |
| SCHEMBL29793721 | 0.84 | KCNB1 (0.45) | KCNB1KCNB2KDM4EALDH1A1 | |
| SCHEMBL28413504 | 0.84 | KCNB1 (0.45) | KCNB1KCNB2KDM4EALDH1A1 | |
| SCHEMBL28411195 | 0.83 | KCNB1 (0.76) | KCNB1KCNB2KCNA5KCNH2TAAR1 | |
| SCHEMBL29793705 | 0.81 | KCNB1 (1.00) | KCNB1KCNB2KCNA5KCNH2KCNK2 | |
| SCHEMBL28406352 | 0.81 | MAPT (0.48) | KCNB1KCNB2KDM4EMEN1ALDH1A1 | |
| SCHEMBL28257357 | 0.80 | KCNB1 (0.76) | KCNB1KCNB2KCNA5KCNH2KCNK2 | |
| SCHEMBL28413523 | 0.79 | KCNB1 (0.73) | KCNB1KCNB2KCNA5KCNH2KCNK2 | |
| SCHEMBL28408036 | 0.75 | KCNB1 (0.63) | KCNB1KCNB2KCNA5KCNH2KCNK2 | |
| SCHEMBL30966361 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108929263-B | Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-07-22 | — | — | CN | disclosed |
| CN-111108092-A | Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2020-05-05 | — | — | CN | disclosed |