Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 5/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | MAP2 | P11137 | 1/20 | 0.35 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10153263 | 0.99 | PDK2 (0.41) | ACHEPDK2PTGS2MAP2SQOR | |
| SCHEMBL10153501 | 0.99 | ACHE (0.39) | ACHEPDK2PTGS2MAP2SQOR | |
| SCHEMBL10153498 | 0.97 | PDK2 (0.39) | ACHEPDK2PTGS2MAP2SQOR | |
| SCHEMBL10153417 | 0.96 | PDK2 (0.41) | ACHEPDK2PTGS2MAP2SQOR | |
| SCHEMBL10153585 | 0.96 | PDK2 (0.43) | ACHEPDK2PTGS2SQORDHODH | |
| SCHEMBL10153486 | 0.92 | PDK2 (0.43) | ACHEPDK2PTGS2SQORKDM4E | |
| SCHEMBL10153224 | 0.91 | PDK2 (0.46) | ACHEPDK2PTGS2SQORKDM4E | |
| SCHEMBL10153510 | 0.91 | PDK2 (0.42) | ACHEPDK2PTGS2SQORKDM4E | |
| SCHEMBL14600413 | 0.91 | PDK2 (0.46) | ACHEPDK2PTGS2KDM4ECYP1A2 | |
| SCHEMBL13158590 | 0.91 | PDK2 (0.40) | ACHEPDK2PTGS2MAP2TAAR1 |
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-7166240-B2 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2007-01-23 | — | — | US | disclosed |