Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1I | Q9P0X4 | 3/20 | 0.67 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | GSK3B | P49841 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.55 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.55 |
| ▸ | CCR2 | P41597 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29960884 | 0.89 | CACNA1I (0.66) | CACNA1IACHEGSK3BHDAC3HDAC4 | |
| SCHEMBL29960540 | 0.89 | CACNA1I (0.66) | CACNA1IACHEGSK3BHDAC3HDAC4 | |
| SCHEMBL29280913 | 0.86 | CACNA1I (0.52) | CACNA1IACHEGSK3BKCNH2KMT2A | |
| SCHEMBL29960822 | 0.84 | ACHE (0.62) | CACNA1IACHEGSK3BHDAC3HDAC4 | |
| SCHEMBL29960939 | 0.82 | CACNA1I (0.66) | CACNA1IGSK3BLMNAHDAC3HDAC4 | |
| Trifluoroacetic Acid SCHEMBL29280901 | 0.81 | CACNA1I (0.48) | CACNA1IACHEGSK3BHDAC3HDAC4 | |
| SCHEMBL5368811 | 0.81 | HDAC3 (0.64) | CACNA1ILMNAHDAC3HDAC4HDAC1 | |
| SCHEMBL29960926 | 0.80 | GSK3B (0.64) | CACNA1IACHEGSK3BHDAC3HDAC4 | |
| SCHEMBL29961434 | 0.80 | FABP6 (0.62) | CACNA1IACHEGSK3BLMNAHDAC3 | |
| SCHEMBL22583343 | 0.80 | THRB (0.64) | CACNA1IHDAC1HDAC6MEN1KMT2A |
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-112047928-B | Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof | 中国药科大学 | 2022-09-23 | — | — | CN | claimed |
| CN-112047928-B | Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof | 中国药科大学 | 2022-09-23 | — | — | CN | disclosed |