Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.46 |
| ▸ | RELA | Q04206 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4211860 | 0.91 | NPC1 (0.48) | CYP1A2CYP2C19MAPK1CYP2D6CLK4 | |
| SCHEMBL18732399 | 0.88 | L3MBTL1 (0.57) | CYP1A2CYP2C19MAPK1CYP2D6CLK4 | |
| SCHEMBL17993428 | 0.88 | L3MBTL1 (0.61) | CYP1A2CYP2C19MAPK1CYP2D6CLK4 | |
| SCHEMBL13312933 | 0.85 | L3MBTL1 (0.52) | CYP1A2CYP2C19MAPK1CYP2D6CLK4 | |
| SCHEMBL11810775 | 0.85 | HSP90AA1 (0.55) | CYP1A2CYP2C19MAPK1CYP2D6CLK4 | |
| SCHEMBL4210417 | 0.84 | NPSR1 (0.49) | CYP1A2CYP2C19TSHRL3MBTL1NPC1 | |
| SCHEMBL26195602 | 0.82 | L3MBTL1 (0.73) | CYP1A2CYP2C19MAPK1CYP2D6CLK4 | |
| SCHEMBL18780272 | 0.82 | ALDH1A1 (0.43) | CYP1A2MAPK1TSHRL3MBTL1NPC1 | |
| SCHEMBL16158747 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP2C19MAPK1CYP2D6CLK4 | |
| SCHEMBL16785871 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP2C19MAPK1CYP2D6CLK4 |
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-3342774-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG Chem, Ltd. (KR) | 2018-07-04 | — | — | EP | disclosed |