Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31612215 | 0.98 | TRPA1 (0.44) | TRPA1CYP1A2ADH1CADH1AADH4 | |
| SCHEMBL12654511 | 0.94 | TRPA1 (0.45) | TRPA1CYP1A2TLR4 | |
| SCHEMBL27934125 | 0.80 | TRPA1 (0.50) | TRPA1 | |
| SCHEMBL1935106 | 0.78 | TRPA1 (0.43) | TRPA1 | |
| SCHEMBL30297411 | 0.78 | CYP1A2 (0.37) | TRPA1CYP1A2TLR4 | |
| SCHEMBL23151644 | 0.77 | TSHR (0.37) | CYP1A2CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL30905815 | 0.77 | TP53 (0.35) | CYP1A2CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL21408653 | 0.77 | TSHR (0.37) | CYP1A2CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL21408664 | 0.75 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL21432069 | 0.75 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C8S1PR3CYP2D6 |
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-106397739-A | IMPROVED EPOXY SYSTEMS AND AMINE POLYMER SYSTEMS AND METHODS FOR MAKING THE SAME | 瀚森公司 | 2017-02-15 | — | — | CN | disclosed |