Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.57 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.57 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.57 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.57 |
| ▸ | NAMPT | P43490 | 3/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | AKT1 | P31749 | 6/20 | 0.49 |
| ▸ | CDK2 | P24941 | 3/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21900928 | 0.87 | NAMPT (0.59) | SMYD3NAMPTAKT1CDK2 | |
| SCHEMBL3017757 | 0.81 | HDAC3 (0.71) | HDAC3HDAC1HDAC2HDAC4HDAC7 | |
| SCHEMBL28148124 | 0.79 | SMYD3 (0.87) | SMYD3AKT1CDK2MAPK14PRMT3 | |
| SCHEMBL1519811 | 0.78 | SMYD3 (0.60) | SMYD3HDAC3HDAC1HDAC2NAMPT | |
| SCHEMBL28437816 | 0.76 | SMYD3 (0.58) | SMYD3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL30824367 | 0.76 | HDAC3 (0.57) | SMYD3HDAC3HDAC1HDAC2NAMPT | |
| SCHEMBL21900830 | 0.76 | NAMPT (0.71) | HDAC3HDAC1HDAC2HDAC4HDAC7 | |
| SCHEMBL26928711 | 0.76 | HDAC3 (0.57) | SMYD3HDAC3HDAC1HDAC2NAMPT | |
| SCHEMBL22583343 | 0.76 | THRB (0.64) | HDAC1HDAC6 | |
| SCHEMBL17643849 | 0.75 | SMYD3 (0.57) | SMYD3HDAC3HDAC1HDAC2AKT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023239729-A1 | PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS | XENON PHARMACEUTICALS INC. (CA) | 2023-12-14 | — | — | WO | claimed |
| WO-2023239729-A1 | PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS | XENON PHARMACEUTICALS INC. (CA) | 2023-12-14 | — | — | WO | disclosed |