Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 6/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30592797 | 0.81 | KCNH2 (0.51) | KCNH2MAOBAPPGRM5KDM1A | |
| SCHEMBL934755 | 0.81 | KCNH2 (0.51) | KCNH2MAOBAPPGRM5KDM1A | |
| SCHEMBL3664684 | 0.81 | KCNH2 (0.51) | KCNH2MAOBAPPGRM5KDM1A | |
| SCHEMBL22198155 | 0.79 | KCNH2 (0.50) | KCNH2MAOBAPPGRM5KDM1A | |
| SCHEMBL17081152 | 0.76 | KCNH2 (0.59) | KCNH2MAOBAPPGRM5MAPT | |
| SCHEMBL9000457 | 0.76 | KCNH2 (0.59) | KCNH2MAOBAPPGRM5KDM1A | |
| SCHEMBL20241361 | 0.76 | KCNH2 (0.47) | KCNH2MAOBMAP3K11MAPT | |
| SCHEMBL20241362 | 0.76 | KCNH2 (0.47) | KCNH2MAOBMAP3K11MAPT | |
| SCHEMBL23751551 | 0.75 | KCNH2 (0.54) | KCNH2MAOBAPPGRM5MAPT | |
| SCHEMBL17081899 | 0.75 | KCNH2 (0.58) | KCNH2MAOBAPPGRM5KDM1A |
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-109790160-A | Pyrido 5-membered aromatic cyclics, preparation method and the usage | 上海海和药物研究开发有限公司 | 2019-05-21 | — | — | CN | disclosed |