Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.54 |
| ▸ | TSHR | P16473 | 5/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | ATM | Q13315 | 2/20 | 0.54 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CASP7 | P55210 | 2/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.44 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23972 | 0.87 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| Methane SCHEMBL28251706 | 0.85 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| SCHEMBL27875913 | 0.83 | ALDH1A1 (0.37) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| Fluoranthene SCHEMBL28199903 | 0.80 | MAPK1 (0.37) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| SCHEMBL28088716 | 0.79 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| SCHEMBL1046484 | 0.78 | ALDH1A1 (0.33) | ALDH1A1HSD17B10TSHRCYP3A4HPGD | |
| SCHEMBL578387 | 0.78 | ALDH1A1 (0.33) | ALDH1A1HSD17B10TSHRCYP3A4HPGD | |
| Pyrene SCHEMBL5677014 | 0.78 | ALDH1A1 (0.88) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| SCHEMBL28285700 | 0.77 | ALDH1A1 (0.38) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| SCHEMBL28132491 | 0.76 | CYP1A2 (0.41) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108017606-A | Compound and organic electroluminescent element containing same | 株式会社LG化学 | 2018-05-11 | — | — | CN | disclosed |