Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.66 |
| ▸ | GSK3B | P49841 | 1/20 | 0.62 |
| ▸ | CCR2 | P41597 | 1/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.58 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29960540 | 0.88 | CACNA1I (0.66) | CACNA1IGSK3BHDAC3HDAC4HDAC1 | |
| SCHEMBL29960926 | 0.87 | GSK3B (0.64) | CACNA1IGSK3BHDAC3HDAC4HDAC1 | |
| SCHEMBL29960884 | 0.84 | CACNA1I (0.66) | CACNA1IGSK3BCCR2HDAC3HDAC4 | |
| SCHEMBL29960805 | 0.82 | CACNA1I (0.67) | CACNA1IGSK3BCCR2HDAC3HDAC4 | |
| SCHEMBL29961434 | 0.82 | FABP6 (0.62) | CACNA1IGSK3BHDAC3HDAC4HDAC1 | |
| SCHEMBL23013174 | 0.78 | CACNA1I (0.69) | CACNA1IGSK3BHDAC3HDAC4HDAC1 | |
| SCHEMBL28905792 | 0.78 | GSK3B (1.00) | GSK3BACKR3 | |
| SCHEMBL28361465 | 0.78 | CCR2 (0.55) | CACNA1IGSK3BCCR2HDAC3HDAC4 | |
| SCHEMBL29960822 | 0.78 | ACHE (0.62) | CACNA1IGSK3BHDAC3HDAC4HDAC1 | |
| SCHEMBL22583343 | 0.78 | THRB (0.64) | CACNA1IHDAC1HDAC6KMT2ATSHR |
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 |