Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | PGK1 | P00558 | 2/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27743255 | 0.83 | TAAR1 (0.43) | GAANPC1TAAR1PGK1GSK3B | |
| SCHEMBL1096568 | 0.82 | PTGS2 (0.39) | GAATAAR1PGK1GSK3BALDH1A1 | |
| SCHEMBL455446 | 0.78 | TAAR1 (0.44) | GAATAAR1GSK3BALDH1A1MAPT | |
| SCHEMBL458811 | 0.77 | GAA (0.31) | GAA | |
| SCHEMBL1637752 | 0.75 | GAA (0.43) | GAANPC1TAAR1PGK1GSK3B | |
| SCHEMBL15063866 | 0.74 | TAAR1 (0.44) | TAAR1GSK3BALDH1A1MAPTKDM4E | |
| SCHEMBL15064111 | 0.74 | GRIN2D (0.38) | L3MBTL1 | |
| SCHEMBL358784 | 0.74 | GAA (0.42) | GAANPC1TAAR1PGK1GSK3B | |
| SCHEMBL1636806 | 0.74 | GAA (0.42) | GAANPC1TAAR1PGK1GSK3B | |
| SCHEMBL28451459 | 0.72 | GAA (0.41) | GAANPC1TAAR1ALDH1A1MAPT |
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-108135175-B | Bicyclic compounds and their use for inhibition of SUV39H2 | 肿瘤疗法科学股份有限公司 | 2021-04-06 | — | — | CN | disclosed |