Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACA | Q13085 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10153955 | 0.97 | ACACA (0.45) | ACACAPDK2ACHEBACE1PIN1 | |
| SCHEMBL14600402 | 0.95 | PDK2 (0.43) | ACACAPDK2ACHECYP11B1CYP11B2 | |
| SCHEMBL10153359 | 0.93 | PDK2 (0.45) | ACACAPDK2ACHEBACE1CYP11B1 | |
| SCHEMBL14600438 | 0.93 | PDK2 (0.45) | ACACAPDK2ACHEBACE1CYP11B1 | |
| SCHEMBL10153892 | 0.93 | PDK2 (0.48) | ACACAPDK2ACHEBACE1SMN1; SMN2 | |
| SCHEMBL10153463 | 0.93 | PDK2 (0.44) | ACACAPDK2ACHECYP11B1CYP11B2 | |
| SCHEMBL10153834 | 0.92 | PDK2 (0.47) | ACACAPDK2ACHECYP11B1CYP11B2 | |
| SCHEMBL10153947 | 0.92 | PDK2 (0.50) | ACACAPDK2ACHEBACE1PGR | |
| SCHEMBL10153483 | 0.92 | PDK2 (0.46) | ACACAPDK2ACHEBACE1SMN1; SMN2 | |
| SCHEMBL10153927 | 0.92 | PDK2 (0.49) | ACACAPDK2ACHEBACE1SMN1; SMN2 |
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 |