Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29076007 | 0.92 | GABRP (0.34) | HDAC6HDAC1HDAC2CYP1A2CYP2C9 | |
| SCHEMBL29076008 | 0.92 | GABRP (0.34) | HDAC6HDAC1HDAC2CYP1A2CYP2C9 | |
| SCHEMBL24275915 | 0.87 | L3MBTL1 (0.37) | HDAC6HDAC1HDAC2CYP1A2CYP2C9 | |
| SCHEMBL22620444 | 0.86 | DGKA (0.34) | HDAC6HDAC1HDAC2CYP1A2CTSK | |
| SCHEMBL15290576 | 0.81 | CA12 (0.36) | HDAC6HDAC1HDAC2CYP1A2CYP2C9 | |
| SCHEMBL29603589 | 0.81 | CYP1A2 (0.33) | HDAC6HDAC1HDAC2CYP1A2CTSK | |
| SCHEMBL18796463 | 0.79 | CA12 (0.39) | HDAC6HDAC1HDAC2CYP1A2CYP2C9 | |
| SCHEMBL1912646 | 0.78 | CA12 (0.36) | HDAC6HDAC1HDAC2CYP1A2CYP2C9 | |
| SCHEMBL14528134 | 0.78 | CYP1A2 (0.35) | HDAC6HDAC1HDAC2CHRNB2CHRNB4 | |
| SCHEMBL29198401 | 0.77 | CYP1A2 (0.33) | HDAC6HDAC1HDAC2CYP1A2CTSK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114426540-A | Pyrido [1,2-a ] pyrazine-1, 8-diketone prodrug derivatives, preparation method and application thereof | 上海拓界生物医药科技有限公司 | 2022-05-03 | — | — | CN | disclosed |
| CN-113795491-A | Bridged ring-3, 4-dihydro-pyrido [1,2-a ] pyrazine-1, 8-dione compound and pharmaceutical use thereof | 上海拓界生物医药科技有限公司 | 2021-12-14 | — | — | CN | disclosed |