Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 9/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25771045 | 0.99 | PDK2 (0.36) | PDK2ACHEMLNRNR1I2CHRM2 | |
| SCHEMBL14600387 | 0.99 | PDK2 (0.36) | PDK2ACHEMLNRNR1I2CHRM2 | |
| SCHEMBL10063921 | 0.99 | PDK2 (0.36) | PDK2ACHEMLNRNR1I2CHRM2 | |
| SCHEMBL10063910 | 0.97 | PDK2 (0.36) | PDK2ACHEMLNRNR1I2CHRM2 | |
| SCHEMBL25771291 | 0.95 | PDK2 (0.38) | PDK2ACHEMLNRNR1I2CHRM2 | |
| SCHEMBL10063927 | 0.95 | PDK2 (0.39) | PDK2ACHE | |
| SCHEMBL10063991 | 0.94 | PDK2 (0.41) | PDK2 | |
| SCHEMBL10063947 | 0.94 | PDK2 (0.41) | PDK2 | |
| SCHEMBL10063971 | 0.94 | PDK2 (0.41) | PDK2 | |
| SCHEMBL25773445 | 0.93 | PDK2 (0.35) | PDK2ACHEMLNRNR1I2CHRM2 |
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 |