Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1511639 | 1.00 | CYP1A2 (0.41) | CYP1A2TRPA1EPHX1ALPIPKM | |
| SCHEMBL2225629 | 1.00 | CYP1A2 (0.41) | CYP1A2TRPA1EPHX1ALPIPKM | |
| SCHEMBL2225625 | 1.00 | CYP1A2 (0.41) | CYP1A2TRPA1EPHX1ALPIPKM | |
| SCHEMBL12036068 | 1.00 | CYP1A2 (0.41) | CYP1A2TRPA1EPHX1ALPIPKM | |
| SCHEMBL2452705 | 0.86 | CYP1A2 (0.34) | CYP1A2TRPA1 | |
| SCHEMBL14895451 | 0.78 | CYP1A2 (0.37) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL2110246 | 0.77 | CA1 (0.51) | — | |
| SCHEMBL10618784 | 0.77 | CA1 (0.51) | — | |
| SCHEMBL5922911 | 0.77 | ALDH1A1 (0.37) | CYP1A2PTGS1 | |
| SCHEMBL10618787 | 0.77 | CA1 (0.51) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110564755-B | Method for preparing (S) -3-phenyl-1, 2-epoxypropane and derivatives thereof by using biological enzyme catalysis | 河南农业大学 | 2021-01-12 | — | — | CN | disclosed |
| CN-110564755-A | Method for preparing (S) -3-phenyl-1, 2-epoxypropane and derivatives thereof by using biological enzyme catalysis | 河南农业大学 | 2019-12-13 | — | — | CN | disclosed |