Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL779417 | 0.85 | HPGD (0.39) | ALDH1A1LMNAL3MBTL1MAPTHPGD | |
| SCHEMBL778487 | 0.82 | CNR2 (0.41) | AKR1C3CNR2ALDH1A1LMNATDP1 | |
| SCHEMBL776598 | 0.76 | HDAC7 (0.48) | ALDH1A1LMNATDP1MAPK1L3MBTL1 | |
| SCHEMBL779856 | 0.75 | ALDH1A1 (0.48) | AKR1C3ALDH1A1LMNATDP1L3MBTL1 | |
| SCHEMBL777792 | 0.75 | LMNA (0.44) | AKR1C3CNR2ALDH1A1LMNATDP1 | |
| SCHEMBL27717943 | 0.71 | GRM6 (0.47) | CNR2ALDH1A1LMNATDP1MAPK1 | |
| SCHEMBL779661 | 0.71 | HDAC7 (0.44) | ALDH1A1LMNAL3MBTL1HPGDHDAC7 | |
| SCHEMBL6911946 | 0.71 | AKR1C3 (0.60) | AKR1C3CNR2ALDH1A1LMNATDP1 | |
| SCHEMBL17748183 | 0.70 | ALDH1A1 (0.47) | CNR2ALDH1A1LMNATDP1L3MBTL1 | |
| SCHEMBL6692576 | 0.69 | ESR2 (0.46) | ALDH1A1TDP1L3MBTL1SMN1; SMN2HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-9252457-B2 | Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2016-02-02 | — | — | US | disclosed |
| US-20120070731-A1 | NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2012-03-22 | — | — | US | disclosed |