Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | GSK3B | P49841 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10665429 | 0.89 | ALDH1A1 (0.52) | MAPK1GSK3BALDH1A1TRPA1HIF1A | |
| SCHEMBL10661203 | 0.87 | ALDH1A1 (0.50) | MAPK1GSK3BALDH1A1TRPA1HIF1A | |
| SCHEMBL5191365 | 0.84 | ALDH1A1 (0.59) | MAPK1GSK3BALDH1A1TRPA1HIF1A | |
| SCHEMBL864716 | 0.83 | MAPT (0.61) | MAPK1GSK3BALDH1A1TRPA1HIF1A | |
| SCHEMBL29050757 | 0.82 | MAPT (0.50) | MAPK1GSK3BALDH1A1TRPA1HIF1A | |
| SCHEMBL11617258 | 0.82 | TDP1 (0.55) | MAPK1GSK3BALDH1A1TRPA1HIF1A | |
| SCHEMBL27830157 | 0.82 | L3MBTL1 (0.50) | MAPK1GSK3BALDH1A1TRPA1HIF1A | |
| SCHEMBL2126591 | 0.81 | LMNA (0.56) | MAPK1GSK3BALDH1A1TRPA1HIF1A | |
| SCHEMBL10478163 | 0.81 | MAOA (0.41) | MAPK1GSK3BALDH1A1TRPA1HIF1A | |
| SCHEMBL7376345 | 0.79 | TDP1 (0.55) | MAPK1GSK3BALDH1A1TRPA1HIF1A |
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-105498848-A | Oximido trimethylamine ionic liquid ligand catalyst and preparation method thereof | INST OF PETROCHEMISTRY HEILONGJIANG ACAD OF SCIENCES | 2016-04-20 | — | — | CN | claimed |
| CN-105498848-A | Oximido trimethylamine ionic liquid ligand catalyst and preparation method thereof | INST OF PETROCHEMISTRY HEILONGJIANG ACAD OF SCIENCES | 2016-04-20 | — | — | CN | disclosed |