Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10153612 | 1.00 | PDK2 (0.43) | PDK2KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL10153173 | 0.99 | PDK2 (0.44) | PDK2KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL10153906 | 0.99 | PDK2 (0.44) | PDK2KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL14600362 | 0.99 | PDK2 (0.44) | PDK2KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL10153797 | 0.97 | PDK2 (0.45) | PDK2KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL10153625 | 0.96 | PDK2 (0.40) | PDK2KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL10153583 | 0.95 | PDK2 (0.41) | PDK2KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL10153380 | 0.95 | PDK2 (0.41) | PDK2KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL10153431 | 0.94 | PDK2 (0.42) | PDK2KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL10153937 | 0.92 | PDK2 (0.40) | PDK2KDM4ENPC1ALDH1A1RAB9A |
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 |