Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.60 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | THRA | P10827 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 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 | |
|---|---|---|---|---|
| SCHEMBL8051337 | 0.87 | SMN1; SMN2 (0.70) | GSK3BALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL11480265 | 0.87 | GSK3B (0.80) | GSK3BALDH1A1HIF1ATRPA1MAPK1 | |
| Ethyne SCHEMBL8050785 | 0.82 | SMN1; SMN2 (0.64) | GSK3BALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL5987625 | 0.82 | CA1 (0.57) | GSK3BALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL11357034 | 0.82 | THRA (0.62) | GSK3BALDH1A1HIF1ATRPA1MAPK1 | |
| SCHEMBL196299 | 0.81 | GSK3B (0.64) | GSK3BALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL17187853 | 0.81 | GSK3B (0.64) | GSK3BALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL846835 | 0.81 | GSK3B (0.64) | GSK3BALDH1A1HIF1ATRPA1MAPK1 | |
| SCHEMBL13908993 | 0.81 | MAPT (0.57) | GSK3BALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL7214228 | 0.81 | GSK3B (0.64) | GSK3BALDH1A1MAPTSMN1; SMN2L3MBTL1 |
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-104788473-A | Antibacterial compound as well as preparation method and application thereof | UNIV SHIJIAZHUANG | 2015-07-22 | — | — | CN | disclosed |