Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | NQO2 | P16083 | 2/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13250616 | 0.84 | HSD17B10 (0.52) | CYP2A6CYP1A2NQO2NQO1L3MBTL1 | |
| SCHEMBL30062535 | 0.84 | HSD17B10 (0.52) | CYP2A6CYP1A2NQO2NQO1L3MBTL1 | |
| SCHEMBL22019062 | 0.83 | CYP1B1 (0.48) | CYP2A6CYP1A2NQO2NQO1L3MBTL1 | |
| SCHEMBL24758926 | 0.82 | CYP2A6 (0.50) | CYP2A6CYP1A2NQO2NQO1ALDH1A1 | |
| SCHEMBL18810728 | 0.81 | HSD17B10 (0.42) | CYP2A6CYP1A2NQO2NQO1L3MBTL1 | |
| SCHEMBL19080435 | 0.81 | NQO2 (0.40) | CYP2A6CYP1A2NQO2NQO1L3MBTL1 | |
| SCHEMBL24022955 | 0.81 | HPRT1 (0.50) | CYP2A6CYP1A2NQO2NQO1L3MBTL1 | |
| SCHEMBL22650683 | 0.79 | GPR3 (0.50) | CYP2A6CYP1A2MAPTALDH1A1HSD17B10 | |
| SCHEMBL24028934 | 0.79 | NQO2 (0.42) | CYP2A6CYP1A2NQO2NQO1L3MBTL1 | |
| SCHEMBL24047877 | 0.79 | CYP2A6 (0.44) | CYP2A6CYP1A2NQO2NQO1L3MBTL1 |
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-2020226295-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT | 덕산네오룩스 주식회사 | 2020-11-12 | — | — | WO | disclosed |