Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | SQLE | Q14534 | 2/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | FNTA | P49354 | 1/20 | 0.44 |
| ▸ | FNTB | P49356 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Citral SCHEMBL28715791 | 0.90 | ALDH1A1 (0.84) | ALDH1A1KMT2ASQLENR1I2LMNA | |
| Citral SCHEMBL3882360 | 0.90 | ALDH1A1 (0.91) | ALDH1A1KMT2ASQLENR1I2LMNA | |
| Citral SCHEMBL781377 | 0.90 | ALDH1A1 (0.91) | ALDH1A1KMT2ASQLENR1I2LMNA | |
| Citral SCHEMBL1865532 | 0.90 | ALDH1A1 (1.00) | ALDH1A1KMT2ASQLENR1I2LMNA | |
| Citral SCHEMBL21491 | 0.90 | ALDH1A1 (1.00) | ALDH1A1KMT2ASQLENR1I2LMNA | |
| Citral SCHEMBL3643082 | 0.90 | ALDH1A1 (1.00) | ALDH1A1KMT2ASQLENR1I2LMNA | |
| Citral SCHEMBL19357313 | 0.90 | ALDH1A1 (1.00) | ALDH1A1KMT2ASQLENR1I2LMNA | |
| Citral SCHEMBL3632554 | 0.90 | ALDH1A1 (1.00) | ALDH1A1KMT2ASQLENR1I2LMNA | |
| Citral SCHEMBL2869016 | 0.90 | ALDH1A1 (1.00) | ALDH1A1KMT2ASQLENR1I2LMNA | |
| Citral SCHEMBL23074 | 0.90 | ALDH1A1 (1.00) | ALDH1A1KMT2ASQLENR1I2LMNA |
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-105208999-B | 3- (4-isobutyl-2-methylphenyl) propanal as fragrance ingredient | 奇华顿股份有限公司 | 2019-05-10 | — | — | CN | disclosed |