Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | F7 | P08709 | 2/20 | 0.31 |
| ▸ | F3 | P13726 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28035043 | 0.88 | HTT (0.39) | HTTKDM4ECLK1NCOA3LOXL2 | |
| SCHEMBL16837159 | 0.79 | KDM4E (0.38) | HTTKDM4ETNFPOLBRAD52 | |
| SCHEMBL16417585 | 0.75 | MAOA (0.37) | HTTKDM4ETNFPOLBRAD52 | |
| SCHEMBL16417598 | 0.71 | MAOA (0.34) | HTTKDM4ETNFPOLBRAD52 | |
| SCHEMBL15935210 | 0.71 | MAOA (0.34) | HTTKDM4ETNFPOLBRAD52 | |
| SCHEMBL28217149 | 0.69 | ALDH1A1 (0.39) | POLBCYP2A6CYP1A2CYP3A4 | |
| SCHEMBL9543262 | 0.67 | KDM4E (0.47) | HTTKDM4ECLK1NCOA3CYP2A6 | |
| SCHEMBL672509 | 0.66 | CLK1 (0.54) | HTTKDM4ETNFPOLBRAD52 | |
| SCHEMBL29569821 | 0.66 | CLK1 (0.54) | HTTKDM4ETNFPOLBRAD52 | |
| SCHEMBL169349 | 0.65 | KDM4E (0.37) | HTTKDM4ETNFCLK1DYRK1A |
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-103517898-B | Novel 3-hydroxyisothiazole 1-oxide derivatives | MOCHIDA PHARMACEUTICAL CO.,LTD. (JP) | 2015-09-30 | — | — | CN | disclosed |