Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2836031 | 0.77 | HDAC6 (0.38) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL25626589 | 0.76 | HDAC6 (0.37) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL15525377 | 0.73 | NFKB1 (0.35) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL11209311 | 0.72 | FFAR3 (0.33) | — | |
| SCHEMBL11209302 | 0.72 | FFAR3 (0.33) | — | |
| SCHEMBL20889387 | 0.71 | HDAC6 (0.34) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL15525382 | 0.71 | HDAC6 (0.34) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL25844389 | 0.69 | HDAC6 (0.31) | HDAC6 | |
| SCHEMBL7866729 | 0.68 | CA14 (0.36) | HDAC6HDAC1HDAC2 | |
| SCHEMBL12160052 | 0.68 | HDAC6 (0.40) | HDAC6HDAC1HDAC2NFKB1NFKB2 |
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-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |