Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.62 |
| ▸ | GSK3B | P49841 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.57 |
| ▸ | DPP4 | P27487 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29961434 | 0.88 | FABP6 (0.62) | ACHEGSK3BCACNA1ICXCR4HDAC3 | |
| SCHEMBL29960805 | 0.84 | CACNA1I (0.67) | ACHEGSK3BKMT2ACACNA1IMEN1 | |
| SCHEMBL29960884 | 0.84 | CACNA1I (0.66) | ACHEGSK3BCACNA1IHDAC3HDAC4 | |
| SCHEMBL29960540 | 0.82 | CACNA1I (0.66) | ACHEGSK3BCACNA1IHDAC3HDAC4 | |
| SCHEMBL29280913 | 0.79 | CACNA1I (0.52) | ACHEGSK3BKMT2ACACNA1IDPP4 | |
| SCHEMBL22583343 | 0.79 | THRB (0.64) | KMT2ACACNA1IDPP4MEN1L3MBTL1 | |
| SCHEMBL29960939 | 0.78 | CACNA1I (0.66) | GSK3BKMT2ACACNA1ICXCR4HDAC3 | |
| SCHEMBL6974596 | 0.77 | ADRA2A (0.56) | CACNA1IHPGDL3MBTL1 | |
| SCHEMBL4179469 | 0.76 | ALDH1A1 (0.62) | KMT2ADPP4MEN1POLBHDAC6 | |
| SCHEMBL3429186 | 0.76 | ALDH1A1 (0.62) | KMT2ADPP4MEN1POLBHDAC6 |
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 |