Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL145276 | 0.94 | ALDH1A1 (0.34) | CYP3A4ALDH1A1TSHRTDP1 | |
| SCHEMBL29483754 | 0.94 | ALDH1A1 (0.34) | CYP3A4ALDH1A1TSHRTDP1 | |
| SCHEMBL6831708 | 0.86 | GABRA1 (0.35) | CYP3A4ALDH1A1TSHRTDP1 | |
| SCHEMBL11038317 | 0.79 | CYP3A4 (0.33) | CYP3A4 | |
| SCHEMBL6704455 | 0.79 | CYP3A4 (0.47) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL10897571 | 0.77 | ALDH1A1 (0.36) | CYP3A4ALDH1A1TSHRTDP1 | |
| SCHEMBL7096568 | 0.77 | CYP3A4 (0.41) | CYP3A4ALDH1A1TSHR | |
| SCHEMBL8763203 | 0.77 | GABRA1 (0.36) | CYP3A4 | |
| SCHEMBL31485790 | 0.77 | CYP3A4 (0.41) | CYP3A4ALDH1A1TSHR | |
| SCHEMBL5597108 | 0.77 | CYP3A4 (0.34) | CYP3A4 |
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-107250125-B | Novel episulfide compounds and the composition for optical material comprising it | 三菱瓦斯化学株式会社 | 2018-07-13 | — | — | CN | disclosed |