Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.43 |
| ▸ | ACACA | Q13085 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | GAK | O14976 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL14600487 | 0.96 | ACACA (0.44) | PDK2ACACADHODHLMNAHPGD | |
| SCHEMBL10153567 | 0.86 | PDK2 (0.41) | PDK2ACACADHODHLMNASMN1; SMN2 | |
| SCHEMBL10153264 | 0.85 | PDK2 (0.40) | PDK2ACACALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL10153211 | 0.85 | PDK2 (0.40) | PDK2ACACALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL10153505 | 0.85 | PDK2 (0.41) | PDK2ACACADHODHLMNASMN1; SMN2 | |
| SCHEMBL10153306 | 0.85 | PDK2 (0.41) | PDK2ACACADHODHLMNASMN1; SMN2 | |
| SCHEMBL10154023 | 0.84 | PDK2 (0.41) | PDK2ACACALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL14600375 | 0.84 | PDK2 (0.41) | PDK2ACACALMNASMN1; SMN2PDCD1 | |
| SCHEMBL10153672 | 0.84 | PDK2 (0.51) | PDK2ACACALMNAHPGDSMN1; SMN2 | |
| SCHEMBL10153542 | 0.84 | PDK2 (0.51) | PDK2ACACALMNAHPGDSMN1; 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 |