Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | POLB | P06746 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL51391 | 0.88 | — | — | |
| SCHEMBL28556905 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TSHRL3MBTL1HTTGAA | |
| SCHEMBL28571795 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TSHRL3MBTL1HTTGAA | |
| SCHEMBL28562313 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TSHRL3MBTL1HTTGAA | |
| SCHEMBL28562831 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TSHRL3MBTL1HTTGAA | |
| SCHEMBL28576319 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TSHRL3MBTL1HTTGAA | |
| SCHEMBL28568742 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TSHRL3MBTL1HTTGAA | |
| SCHEMBL28565958 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TSHRL3MBTL1HTTGAA | |
| SCHEMBL669513 | 0.80 | — | — | |
| SCHEMBL16564245 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TSHRL3MBTL1HTTGAA |
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-106008416-B | A kind of preparation method of 2,5- furans dicarbaldehyde | 浙江大学 | 2019-02-19 | — | — | CN | disclosed |