Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ASIC3 | Q9UHC3 | 3/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16639367 | 0.82 | ESR1 (0.50) | KIF11TDP2HSD17B1CYP3A4 | |
| SCHEMBL16639373 | 0.82 | TDP2 (0.38) | ADRA2AADRA2BASIC3HSD17B3CYP11B1 | |
| SCHEMBL13227384 | 0.76 | ESR1 (0.44) | CYP3A4 | |
| SCHEMBL16639376 | 0.72 | LIPG (0.50) | — | |
| SCHEMBL16639363 | 0.72 | HSD17B3 (0.36) | HSD17B3KIF11CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL16640025 | 0.71 | KIF11 (0.42) | KIF11TDP2 | |
| SCHEMBL22294679 | 0.70 | ESR1 (0.31) | — | |
| SCHEMBL12032170 | 0.69 | KIF11 (0.56) | KIF11 | |
| SCHEMBL17121753 | 0.69 | KIF11 (0.56) | KIF11 | |
| SCHEMBL16450322 | 0.69 | ESR1 (0.46) | CYP1A2CYP3A4 |
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-2862888-A1 | POLYMER COMPOUND, CHARGE TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING | Mitsubishi Chemical Corporation (JP) | 2015-04-22 | — | — | EP | disclosed |