Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14600438 | 0.91 | PDK2 (0.45) | PDK2PGRACACAALKCYP1A2 | |
| SCHEMBL10153429 | 0.91 | PDK2 (0.46) | PDK2PGRGRIK2ACACAGRIK1 | |
| SCHEMBL14600402 | 0.90 | PDK2 (0.43) | PDK2PGRACACAALKCYP1A2 | |
| SCHEMBL10153463 | 0.89 | PDK2 (0.44) | PDK2PGRACACAALKCYP1A2 | |
| SCHEMBL10153834 | 0.87 | PDK2 (0.47) | PDK2PGRACACACYP1A2CYP3A4 | |
| SCHEMBL10153453 | 0.86 | PDK2 (0.49) | PDK2PGRACACAALKCYP1A2 | |
| SCHEMBL10154054 | 0.86 | PDK2 (0.48) | PDK2PGRACACACA1CA2 | |
| SCHEMBL10153359 | 0.86 | PDK2 (0.45) | PDK2PGRACACACYP1A2CYP3A4 | |
| SCHEMBL10153181 | 0.85 | ACACA (0.43) | PDK2PGRGRIK2ACACACYP1A2 | |
| SCHEMBL10153947 | 0.85 | PDK2 (0.50) | PDK2PGRACACACA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1221434-B1 | HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT | MITSUI CHEMICALS INC (JP) | 2012-06-27 | — | — | EP | disclosed |