Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLO1 | Q04760 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.54 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.54 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.54 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | CCR6 | P51684 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL27521455 | 1.00 | GLO1 (0.59) | GLO1LMNATSHRALDH1A1GAA | |
| Ethyl Acetate SCHEMBL10515029 | 0.88 | ALDH1A1 (0.59) | LMNAALDH1A1GAAKMT2AMEN1 | |
| Nitrobenzene SCHEMBL9326043 | 0.88 | ALDH1A1 (0.55) | GLO1LMNAALDH1A1GAAKMT2A | |
| Dinitrophenylene SCHEMBL27988648 | 0.83 | MAPT (0.55) | GLO1LMNATSHRALDH1A1GAA | |
| Dinitrophenylene SCHEMBL27790604 | 0.83 | GLO1 (0.55) | GLO1LMNATSHRALDH1A1GAA | |
| Dinitrophenylene SCHEMBL27724274 | 0.82 | TSHR (0.77) | GLO1LMNATSHRALDH1A1GAA | |
| Nitrobenzene SCHEMBL27659769 | 0.81 | ALDH1A1 (0.47) | GLO1LMNAALDH1A1GAAKMT2A | |
| SCHEMBL3388760 | 0.81 | NPC1 (0.62) | LMNAALDH1A1GAAKMT2AMEN1 | |
| SCHEMBL3719794 | 0.81 | MAOB (0.63) | LMNATSHRALDH1A1GAAKMT2A | |
| Dinitrophenylene SCHEMBL9862221 | 0.80 | TSHR (0.68) | GLO1LMNATSHRALDH1A1GAA |
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-213528613-U | Oil bath heating reaction kettle for producing ethyl bis (2, 4-dinitrobenzene) acetate | 上海优合生物科技有限公司 | 2021-06-25 | — | — | CN | claimed |