Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | MPL | P40238 | 3/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.34 |
| ▸ | CTSV | O60911 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.32 |
| ▸ | BRS3 | P32247 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9957883 | 0.89 | PDK2 (0.33) | PDK2CTSVCTSLALK | |
| SCHEMBL9957858 | 0.85 | PDK2 (0.35) | PDK2ALKPTPN1 | |
| SCHEMBL9957601 | 0.84 | PDK2 (0.42) | PDK2CA1CA2 | |
| SCHEMBL14600391 | 0.78 | PDK2 (0.47) | DHODHPDK2ALKPTPN1PTPN11 | |
| SCHEMBL14600345 | 0.78 | CYP2D6 (0.45) | PDK2CTSVCTSLALK | |
| SCHEMBL14600446 | 0.77 | PDK2 (0.46) | DHODHPDK2ALKPTPN1PTPN11 | |
| SCHEMBL14600410 | 0.77 | CYP2D6 (0.44) | PDK2CTSVCTSLALK | |
| SCHEMBL14600421 | 0.77 | CYP2D6 (0.44) | PDK2CTSVCTSLALK | |
| SCHEMBL14600359 | 0.76 | PDK2 (0.46) | DHODHPDK2ALKPTPN1PTPN11 | |
| SCHEMBL14600489 | 0.76 | CYP2D6 (0.43) | PDK2CTSVCTSLALK |
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 |