Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | DEGS1 | O15121 | 2/20 | 0.41 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | BRS3 | P32247 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23582524 | 1.00 | HDAC1 (0.41) | HDAC1GSK3BDYRK1ADEGS1ATR | |
| SCHEMBL23582651 | 0.89 | GSK3B (0.43) | HDAC1GSK3BDYRK1ADEGS1ATR | |
| SCHEMBL282866 | 0.85 | DEGS1 (0.51) | HDAC1GSK3BDYRK1ADEGS1ATR | |
| SCHEMBL24738932 | 0.83 | GAA (0.45) | HDAC1GSK3BDYRK1ADEGS1ATR | |
| SCHEMBL30828305 | 0.83 | RAB9A (0.55) | HDAC1GSK3BDYRK1ADEGS1GAA | |
| SCHEMBL31292326 | 0.80 | HDAC1 (0.41) | HDAC1GSK3BDYRK1ADEGS1ATR | |
| SCHEMBL31000170 | 0.80 | GAA (0.42) | HDAC1GSK3BDYRK1ADEGS1ATR | |
| SCHEMBL23534267 | 0.79 | NAMPT (0.39) | HDAC1GSK3BDYRK1ADEGS1ATR | |
| SCHEMBL30058570 | 0.79 | NAMPT (0.39) | HDAC1GSK3BDYRK1ADEGS1ATR | |
| SCHEMBL31706891 | 0.78 | GAA (0.44) | HDAC1GSK3BDYRK1ADEGS1ATR |
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-114846013-B | Novel aminoaryl derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof | 株式会社LG化学 | 2024-12-20 | — | — | CN | disclosed |