Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3312236 | 1.00 | HDAC1 (0.46) | HDAC1HDAC6ADORA2AP2RX7CXCR4 | |
| SCHEMBL1198594 | 0.91 | HDAC1 (0.39) | HDAC1HDAC6ADORA2AP2RX7 | |
| SCHEMBL29560239 | 0.91 | HDAC1 (0.39) | HDAC1HDAC6ADORA2AP2RX7 | |
| SCHEMBL12185906 | 0.85 | HDAC1 (0.43) | HDAC1HDAC6CXCR4MAPK1ALDH1A1 | |
| SCHEMBL29640806 | 0.84 | HDAC1 (0.45) | HDAC1HDAC6ADORA2AP2RX7CXCR4 | |
| SCHEMBL2688968 | 0.84 | HDAC1 (0.45) | HDAC1HDAC6ADORA2AP2RX7CXCR4 | |
| SCHEMBL3147432 | 0.82 | P2RX7 (0.38) | HDAC1HDAC6ADORA2AP2RX7ALDH1A1 | |
| SCHEMBL2597816 | 0.82 | HDAC1 (0.46) | HDAC1HDAC6ADORA2AP2RX7CXCR4 | |
| SCHEMBL27766407 | 0.81 | HDAC1 (0.44) | HDAC1HDAC6ADORA2AP2RX7CXCR4 | |
| SCHEMBL2305432 | 0.81 | HDAC1 (0.45) | HDAC1HDAC6ADORA2AP2RX7CXCR4 |
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-116332961-A | Substituted heteroaryl compounds, compositions and uses thereof | 广东东阳光药业有限公司 | 2023-06-27 | — | — | CN | disclosed |