Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Z-Butylidenephthalide SCHEMBL30268972 | 1.00 | TRPA1 (1.00) | TRPA1ALDH1A1TSHRMAPK1KDM4E | |
| Z-Butylidenephthalide SCHEMBL290483 | 1.00 | TRPA1 (1.00) | TRPA1ALDH1A1TSHRMAPK1KDM4E | |
| Z-Butylidenephthalide SCHEMBL27581583 | 1.00 | TRPA1 (1.00) | TRPA1ALDH1A1TSHRMAPK1KDM4E | |
| Z-Butylidenephthalide SCHEMBL29372485 | 1.00 | TRPA1 (1.00) | TRPA1ALDH1A1TSHRMAPK1KDM4E | |
| (E)-Butylidenephthalide SCHEMBL783051 | 1.00 | TRPA1 (1.00) | TRPA1ALDH1A1TSHRMAPK1KDM4E | |
| Z-Butylidenephthalide SCHEMBL290482 | 1.00 | TRPA1 (1.00) | TRPA1ALDH1A1TSHRMAPK1KDM4E | |
| Z-Butylidenephthalide SCHEMBL27312198 | 0.98 | TRPA1 (0.96) | TRPA1ALDH1A1TSHRMAPK1KDM4E | |
| Z-Butylidenephthalide SCHEMBL28057401 | 0.92 | TRPA1 (0.84) | TRPA1ALDH1A1TSHRMAPK1KDM4E | |
| SCHEMBL6530791 | 0.89 | TRPA1 (0.81) | TRPA1ALDH1A1TSHRMAPK1KDM4E | |
| Z-Butylidenephthalide SCHEMBL28165145 | 0.89 | TRPA1 (0.79) | TRPA1ALDH1A1TSHRMAPK1KDM4E |
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-105524032-A | Method for producing isobenzofuran-1 (3H) -one compound | EVERFRONT BIOTECH INC | 2016-04-27 | — | — | CN | disclosed |