Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNB1 | Q14721 | 2/20 | 0.60 |
| ▸ | KCNB2 | Q92953 | 1/20 | 0.60 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 6/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28402758 | 0.95 | KCNB1 (0.63) | KCNB1KCNB2AURKARPS6KB1EPHX2 | |
| SCHEMBL28818685 | 0.90 | KCNB1 (0.57) | KCNB1KCNB2AURKARPS6KB1EPHX2 | |
| SCHEMBL28413196 | 0.90 | KCNB1 (0.66) | KCNB1KCNB2AURKARPS6KB1EPHX2 | |
| SCHEMBL28256075 | 0.81 | KCNB1 (0.51) | KCNB1KCNB2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28255806 | 0.78 | KCNB1 (0.53) | KCNB1KCNB2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29793705 | 0.76 | KCNB1 (1.00) | KCNB1KCNB2KDM4EALDH1A1LMNA | |
| SCHEMBL28255850 | 0.76 | KCNB1 (0.55) | KCNB1KCNB2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16583815 | 0.75 | KCNB1 (0.69) | KCNB1KCNB2LMNAHPGD | |
| SCHEMBL28402250 | 0.69 | KCNB1 (0.83) | KCNB1KCNB2 | |
| SCHEMBL29793887 | 0.69 | KCNB1 (0.66) | KCNB1KCNB2HDAC3HDAC1KDM4E |
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 |