Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2413530 | 0.93 | ALDH1A1 (0.34) | ALDH1A1HSD17B10TSHRMAPK1ATM | |
| SCHEMBL3511346 | 0.83 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TSHRMAPK1ATM | |
| SCHEMBL1232029 | 0.77 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TSHRMAPK1ATM | |
| SCHEMBL2407435 | 0.74 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRMAPK1ATM | |
| SCHEMBL2413791 | 0.74 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRMAPK1ATM | |
| SCHEMBL22635747 | 0.72 | ALDH1A1 (0.65) | ALDH1A1HSD17B10TSHRMAPK1ATM | |
| SCHEMBL2408073 | 0.72 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TSHRMAPK1ATM | |
| SCHEMBL15062530 | 0.71 | — | — | |
| SCHEMBL15062622 | 0.71 | — | — | |
| SCHEMBL2412874 | 0.70 | HSD17B10 (0.46) | ALDH1A1HSD17B10TSHRMAPK1ATM |
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-2011105700-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-09-01 | — | — | WO | disclosed |