Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10153625 | 0.94 | PDK2 (0.40) | PDK2CNR1CNR2GPR55KDM4E | |
| SCHEMBL10153583 | 0.92 | PDK2 (0.41) | PDK2CNR1CNR2GPR55KDM4E | |
| SCHEMBL10153380 | 0.92 | PDK2 (0.41) | PDK2CNR1CNR2GPR55ALK | |
| SCHEMBL10153431 | 0.91 | PDK2 (0.42) | PDK2CNR1CNR2GPR55ALK | |
| SCHEMBL10154059 | 0.90 | PDK2 (0.43) | PDK2KDM4ESMN1; SMN2LMNANPC1 | |
| SCHEMBL10153612 | 0.90 | PDK2 (0.43) | PDK2KDM4ESMN1; SMN2LMNANPC1 | |
| SCHEMBL14600446 | 0.89 | PDK2 (0.46) | PDK2ALKCYP19A1 | |
| SCHEMBL14600362 | 0.89 | PDK2 (0.44) | PDK2KDM4ESMN1; SMN2LMNANPC1 | |
| SCHEMBL10153906 | 0.89 | PDK2 (0.44) | PDK2KDM4ESMN1; SMN2LMNANPC1 | |
| SCHEMBL10153173 | 0.89 | PDK2 (0.44) | PDK2KDM4ESMN1; SMN2LMNANPC1 |
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 |