Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL739233 | 0.85 | CYP3A4 (0.61) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL38659816 | 0.85 | CYP3A4 (0.61) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL29664539 | 0.85 | CYP3A4 (0.61) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL10869858 | 0.75 | CYP3A4 (0.68) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL31597 | 0.75 | CYP3A4 (0.68) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL6848034 | 0.73 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| Toluene Diisocyanate SCHEMBL29737260 | 0.73 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| Toluene Diisocyanate SCHEMBL29350148 | 0.73 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| Toluene Diisocyanate SCHEMBL15384 | 0.73 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| Toluene Diisocyanate SCHEMBL28174227 | 0.73 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1HPGDTDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106715502-A | Polymerizable composition, transparent resin, optical material, plastic lens, and method for producing transparent resin | 豪雅镜片泰国有限公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-102633980-B | Composition for optical material and optical material using same | MITSUBISHI GAS CHEMICAL CO.,INC. (JP) | 2015-09-16 | — | — | CN | disclosed |
| CN-104725593-A | Composition used for optical material and optical material employing the same | MITSUBISHI GAS CHEMICAL CO | 2015-06-24 | — | — | CN | disclosed |
| CN-102633980-A | Composition for optical material and optical material using same | MITSUBISHI GAS CHEMICAL CO | 2012-08-15 | — | — | CN | disclosed |