Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.55 |
| ▸ | PTPRC | P08575 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6042142 | 0.81 | NOTUM (0.77) | NOTUMMAP4K4HDAC6 | |
| SCHEMBL6042144 | 0.72 | NOTUM (0.64) | NOTUMKCNH2MAP4K4HDAC6GSK3B | |
| SCHEMBL1136802 | 0.71 | NOTUM (1.00) | NOTUMMAP4K4HDAC6 | |
| SCHEMBL2125063 | 0.71 | CYP2A6 (0.72) | PTPRCKCNH2CYP2A6CYP2E1CYP2B6 | |
| SCHEMBL2461441 | 0.70 | NPC1 (0.58) | KCNH2CYP2A6BACE1 | |
| SCHEMBL2461816 | 0.70 | KCNH2 (0.46) | KCNH2CYP2A6CYP2E1CYP2B6ERN1 | |
| SCHEMBL31497473 | 0.70 | KCNH2 (0.46) | KCNH2CYP2A6CYP2E1CYP2B6ERN1 | |
| SCHEMBL29465053 | 0.69 | USP2 (0.47) | CYP2A6HDAC6GSK3B | |
| Formaldehyde SCHEMBL28680174 | 0.69 | CYP2A6 (0.62) | PTPRCKCNH2CYP2A6CYP2E1CYP2B6 | |
| SCHEMBL94548 | 0.68 | NOTUM (0.64) | NOTUMMAP4K4HDAC6 |
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-109790146-A | Medical compounds | 阿尔麦克探索有限公司 | 2019-05-21 | — | — | CN | disclosed |