Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.43 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.43 |
| ▸ | ITGAL | P20701 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1251510 | 0.86 | HDAC3 (0.52) | NPSR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28774295 | 0.86 | NPSR1 (0.66) | NPSR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1251511 | 0.86 | HDAC3 (0.52) | NPSR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28774292 | 0.86 | NPSR1 (0.66) | NPSR1HDAC3HDAC4HDAC1HDAC7 | |
| Hydrochloric Acid SCHEMBL6818359 | 0.84 | HDAC3 (0.50) | NPSR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29136758 | 0.80 | TTR (0.47) | HCAR2CYP3A4TP53KDM4EHSD17B10 | |
| SCHEMBL29879341 | 0.80 | TTR (0.47) | HCAR2CYP3A4TP53KDM4EHSD17B10 | |
| SCHEMBL29136808 | 0.80 | TTR (0.47) | HCAR2CYP3A4TP53KDM4EHSD17B10 | |
| SCHEMBL4716668 | 0.78 | HDAC3 (0.44) | NPSR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4716666 | 0.78 | HDAC3 (0.44) | NPSR1HDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117355521-A | Heteroaryl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |