Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | DRD5 | P21918 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28161230 | 0.87 | NFE2L2 (0.50) | BACE1TRPA1NFE2L2HDAC3HDAC4 | |
| SCHEMBL3963459 | 0.87 | BACE1 (0.51) | BACE1TRPA1NFE2L2HDAC3HDAC4 | |
| SCHEMBL1533629 | 0.86 | ALDH1A1 (0.41) | ALDH1A1CYP2A6BACE1DRD1DRD2 | |
| SCHEMBL10649595 | 0.85 | ALDH1A1 (0.67) | ALDH1A1CYP2A6DRD1PPARGTRPA1 | |
| SCHEMBL12212922 | 0.83 | DRD1 (0.51) | ALDH1A1CYP2A6DRD1DRD2DRD4 | |
| SCHEMBL536598 | 0.83 | NFE2L2 (0.54) | BACE1TRPA1NFE2L2KMT2ACYP19A1 | |
| SCHEMBL536597 | 0.83 | NFE2L2 (0.54) | BACE1TRPA1NFE2L2KMT2ACYP19A1 | |
| SCHEMBL28016339 | 0.81 | NFE2L2 (0.52) | BACE1TRPA1NFE2L2KMT2ACYP19A1 | |
| Bromide SCHEMBL27518372 | 0.81 | NFE2L2 (0.52) | BACE1TRPA1NFE2L2KMT2ACYP19A1 | |
| SCHEMBL6849341 | 0.81 | DRD1 (0.53) | ALDH1A1CYP2A6DRD1DRD2DRD4 |
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-118005601-A | Compound with aggregation-induced emission performance and preparation method thereof | 五邑大学 | 2024-05-10 | — | — | CN | disclosed |