Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | MASP2 | O00187 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1399091 | 1.00 | NFE2L2 (0.54) | NFE2L2MAOBCYP1A2CYP2D6CYP1B1 | |
| SCHEMBL1399094 | 1.00 | NFE2L2 (0.54) | NFE2L2MAOBCYP1A2CYP2D6CYP1B1 | |
| SCHEMBL79637 | 0.86 | CA1 (0.62) | NFE2L2MAOBCYP1A2CYP2D6CYP1B1 | |
| SCHEMBL29365442 | 0.86 | CA1 (0.62) | NFE2L2MAOBCYP1A2CYP2D6CYP1B1 | |
| SCHEMBL79638 | 0.86 | CA1 (0.62) | NFE2L2MAOBCYP1A2CYP2D6CYP1B1 | |
| SCHEMBL13004933 | 0.84 | NFKB1 (0.53) | NFE2L2MAOBCYP1A2CA1CA2 | |
| SCHEMBL17866914 | 0.84 | NFKB1 (0.53) | NFE2L2MAOBCYP1A2CA1CA2 | |
| SCHEMBL17866912 | 0.84 | NFKB1 (0.53) | NFE2L2MAOBCYP1A2CA1CA2 | |
| SCHEMBL13004328 | 0.84 | NFKB1 (0.53) | NFE2L2MAOBCYP1A2CA1CA2 | |
| SCHEMBL1399070 | 0.79 | ABCG2 (0.49) | NFE2L2MAOBMAPTMIFMASP2 |
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-115073294-A | Method for synthesizing axial chiral aryl conjugated diene through asymmetric alfa-C-H olefination reaction and product thereof | 杭州师范大学 | 2022-09-20 | — | — | CN | disclosed |