Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | PTGES | O14684 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL28650023 | 0.85 | ALDH1A1 (0.44) | CYP1A2CYP2A6ALDH1A1PTGESL3MBTL1 | |
| SCHEMBL24655507 | 0.78 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1L3MBTL1CCR1 | |
| SCHEMBL31222435 | 0.78 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1L3MBTL1CCR1 | |
| SCHEMBL28658036 | 0.77 | CYP2A6 (0.50) | CYP1A2CYP2A6ALDH1A1PTGESL3MBTL1 | |
| SCHEMBL19656489 | 0.75 | IDO1 (0.39) | CYP1A2CYP2A6ALDH1A1PTGESL3MBTL1 | |
| SCHEMBL2906916 | 0.73 | ALDH1A1 (0.46) | CYP1A2ALDH1A1PTGESL3MBTL1HSD17B10 | |
| SCHEMBL31504059 | 0.73 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1PTGESL3MBTL1 | |
| SCHEMBL662611 | 0.73 | ALDH1A1 (0.54) | CYP1A2CYP2A6ALDH1A1L3MBTL1HSD17B10 | |
| SCHEMBL21313671 | 0.72 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1L3MBTL1HSD17B10 | |
| SCHEMBL30014468 | 0.72 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1L3MBTL1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017090901-A1 | ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | 주식회사 두산 | 2017-06-01 | — | — | WO | disclosed |