Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17007517 | 0.86 | CYP3A4 (0.54) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL28851611 | 0.82 | CYP3A4 (0.48) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL109280 | 0.81 | CYP3A4 (0.62) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL17472553 | 0.77 | ALDH1A1 (0.44) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL462306 | 0.76 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL11878224 | 0.76 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL28570936 | 0.75 | CYP3A4 (0.56) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL5456903 | 0.74 | CYP3A4 (0.54) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL30625397 | 0.72 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL20145 | 0.72 | CYP3A4 (0.63) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10202485-B2 | Polymerizable composition for optical material, optical material, and method of manufacturing optical material | MITSUI CHEMICALS, INC. (JP) | 2019-02-12 | — | — | US | claimed |
| US-10202485-B2 | Polymerizable composition for optical material, optical material, and method of manufacturing optical material | MITSUI CHEMICALS, INC. (JP) | 2019-02-12 | — | — | US | disclosed |
| EP-2980113-B1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PRODUCING OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2017-09-20 | — | — | EP | disclosed |
| US-20160280840-A1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD OF MANUFACTURING OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2016-09-29 | — | — | US | disclosed |
| EP-2980113-A1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PRODUCING OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2016-02-03 | — | — | EP | disclosed |
| CN-105143300-A | Polymerizable composition for optical material, optical material, and method for producing optical material | MITSU CHEMICALS INC | 2015-12-09 | — | — | CN | disclosed |