Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 5/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.55 |
| ▸ | LRRK2 | Q5S007 | 14/20 | 0.51 |
| ▸ | JAK2 | O60674 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29174645 | 1.00 | HDAC3 (0.55) | HDAC3HDAC1HDAC6LRRK2JAK2 | |
| SCHEMBL29174712 | 0.86 | HDAC3 (0.53) | HDAC3HDAC1HDAC6LRRK2JAK2 | |
| SCHEMBL29174691 | 0.83 | JAK3 (0.57) | HDAC3HDAC1HDAC6JAK2HDAC4 | |
| SCHEMBL30725464 | 0.82 | HDAC3 (0.50) | HDAC3HDAC1HDAC6JAK2HDAC4 | |
| SCHEMBL29174614 | 0.82 | HDAC3 (0.50) | HDAC3HDAC1HDAC6JAK2HDAC4 | |
| SCHEMBL30725482 | 0.76 | JAK2 (0.51) | HDAC3HDAC1HDAC6JAK2HDAC4 | |
| SCHEMBL29174660 | 0.76 | JAK2 (0.51) | HDAC3HDAC1HDAC6JAK2HDAC4 | |
| SCHEMBL29174734 | 0.76 | HDAC3 (0.51) | HDAC3HDAC1HDAC6JAK2HDAC4 | |
| SCHEMBL30725437 | 0.76 | HDAC3 (0.51) | HDAC3HDAC1HDAC6JAK2HDAC4 | |
| SCHEMBL29174593 | 0.75 | HDAC3 (0.49) | HDAC3HDAC1HDAC6JAK2HDAC4 |
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-117430589-A | 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof | 励缔(杭州)医药科技有限公司 | 2024-01-23 | — | — | CN | disclosed |