Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.46 |
| ▸ | IDO1 | P14902 | 8/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | MAST3 | O60307 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22686788 | 0.90 | HDAC3 (0.46) | HDAC3HDAC1HDAC2HDAC6CYP3A4 | |
| SCHEMBL22685165 | 0.82 | WDR91 (0.42) | HDAC3HDAC1HDAC2HDAC6BTK | |
| SCHEMBL22685198 | 0.82 | WDR91 (0.53) | HDAC3HDAC1HDAC2HDAC6CYP3A4 | |
| SCHEMBL22685255 | 0.82 | HDAC3 (0.39) | HDAC3HDAC1HDAC2HDAC6IDO1 | |
| SCHEMBL22685197 | 0.80 | WDR91 (0.41) | BTKMAP4K4 | |
| SCHEMBL22685238 | 0.78 | HDAC3 (0.47) | HDAC3HDAC1HDAC2HDAC6CYP3A4 | |
| SCHEMBL22684799 | 0.78 | IDO1 (0.39) | HDAC3HDAC1HDAC2HDAC6IDO1 | |
| SCHEMBL22685329 | 0.78 | IDO1 (0.43) | HDAC3HDAC1HDAC2HDAC6IDO1 | |
| SCHEMBL22685327 | 0.76 | PDE2A (0.39) | IDO1CYP2C8CYP3A4 | |
| SCHEMBL22686795 | 0.76 | BTK (0.38) | HDAC3HDAC1HDAC2HDAC6IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020228823-A1 | NOVEL AMIDE COMPOUNDS AND USES THEREOF | HUTCHISON MEDIPHARMA LIMITED (CN) | 2020-11-19 | — | — | WO | disclosed |