Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.57 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.55 |
| ▸ | GRM5 | P41594 | 1/20 | 0.52 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | CD38 | P28907 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5038597 | 0.92 | KEAP1 (0.51) | KEAP1PDPK1GRM5P2RX7HDAC1 | |
| Trifluoroacetic Acid SCHEMBL5134324 | 0.84 | CDK5 (0.48) | KEAP1PDPK1GRM5HDAC1HDAC2 | |
| SCHEMBL26432855 | 0.82 | KMT2A (0.47) | KEAP1PDPK1GRM5HDAC1HDAC2 | |
| SCHEMBL31358814 | 0.79 | KEAP1 (0.66) | KEAP1PDPK1GRM5HDAC1HDAC2 | |
| SCHEMBL31203422 | 0.79 | KEAP1 (0.47) | KEAP1PDPK1GRM5HDAC1HDAC2 | |
| SCHEMBL9973783 | 0.78 | PDPK1 (0.67) | KEAP1PDPK1GRM5HDAC1HDAC2 | |
| SCHEMBL6219389 | 0.78 | KEAP1 (0.64) | KEAP1PDPK1GRM5HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL2039646 | 0.75 | L3MBTL1 (0.56) | P2RX7HDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL2747078 | 0.74 | DRD4 (0.67) | HDAC8ALDH1A1KMT2AHPGDKDM4E | |
| SCHEMBL20612941 | 0.74 | TAS1R3 (0.54) | CD38NPC1RAB9ALMNA |
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-118666843-A | Quinolone-lixiviated histone deacetylase inhibitor and preparation method and application thereof | 天津市医药科学研究所(天津市医药与健康研究中心) | 2024-09-20 | — | — | CN | disclosed |