Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.36 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5556127 | 0.86 | MGLL (0.41) | ACHEKDM4EHPGDL3MBTL1ALDH1A1 | |
| SCHEMBL2447870 | 0.85 | ACHE (0.38) | ACHEKDM4EHPGDHTTNPSR1 | |
| SCHEMBL5551768 | 0.83 | ACHE (0.41) | ACHEKDM4EHTTNPSR1L3MBTL1 | |
| SCHEMBL5551744 | 0.80 | ACHE (0.47) | ACHEKDM4ECYP3A4HPGDALDH1A1 | |
| SCHEMBL5556622 | 0.79 | DHODH (0.36) | ACHENPSR1L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL5555752 | 0.79 | LPL (0.38) | ACHEHTTSMN1; SMN2MAPT | |
| SCHEMBL9958416 | 0.79 | MAPT (0.38) | ACHEKDM4ECYP1A2CYP3A4HPGD | |
| SCHEMBL30413770 | 0.77 | ESR1 (0.41) | CYP1A2CYP2C19ESR1GPR84 | |
| SCHEMBL1208752 | 0.77 | ESR1 (0.41) | CYP1A2CYP2C19ESR1GPR84 | |
| SCHEMBL26813573 | 0.77 | ACHE (0.45) | ACHEKDM4ECYP1A2CYP3A4HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1221434-B1 | HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT | MITSUI CHEMICALS INC (JP) | 2012-06-27 | — | — | EP | disclosed |
| US-7166240-B2 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2007-01-23 | — | — | US | disclosed |
| US-20050074631-A1 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2005-04-07 | — | — | US | disclosed |