Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22672935 | 0.84 | GAA (0.62) | GAAMAPTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL14070682 | 0.76 | GAA (0.41) | GAAMAPTALDH1A1 | |
| SCHEMBL14029897 | 0.74 | HPGD (0.46) | GAAMAPTALDH1A1EPHX2 | |
| SCHEMBL5568385 | 0.74 | GAA (0.55) | GAAMAPTALDH1A1 | |
| SCHEMBL5568388 | 0.74 | GAA (0.55) | GAAMAPTALDH1A1 | |
| SCHEMBL19476512 | 0.73 | GAA (0.60) | GAAMAPTHTR2CHTR2BALDH1A1 | |
| SCHEMBL13889275 | 0.73 | GAA (0.60) | GAAMAPTRAB9ANPC1HTR2C | |
| SCHEMBL19476118 | 0.73 | GAA (0.60) | GAAMAPTHTR2CHTR2BALDH1A1 | |
| SCHEMBL14018477 | 0.73 | GAA (0.60) | GAAMAPTRAB9ANPC1HTR2C | |
| SCHEMBL3899815 | 0.73 | GAA (0.60) | GAAMAPTRAB9ANPC1HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020228783-A1 | CYCLIC FORMYL AND CYCLIC KETONE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE | 南京工业大学 | 2020-11-19 | — | — | WO | disclosed |