Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.63 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30906327 | 0.86 | TRPA1 (0.44) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL398402 | 0.82 | — | — | |
| Ether SCHEMBL6064355 | 0.80 | CA2 (0.43) | ALDH1A1TRPA1CA2MAPK1SLC1A3 | |
| Ethyl Bromo Acetate SCHEMBL1332025 | 0.79 | — | — | |
| Ethyl Bromo Acetate SCHEMBL5658 | 0.79 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1332675 | 0.79 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1332372 | 0.79 | — | — | |
| Ethyl Bromo Acetate SCHEMBL30214367 | 0.79 | ALDH1A1 (0.65) | ALDH1A1TRPA1MGAMGAASI | |
| Ethyl Bromo Acetate SCHEMBL4675250 | 0.78 | ALDH1A1 (0.85) | ALDH1A1TRPA1MGAMGAASI | |
| Ethyl Bromo Acetate SCHEMBL3688089 | 0.77 | — | — |
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-118666762-A | Barbituric acid derivative with aggregation-induced emission effect and preparation method thereof | 齐鲁工业大学(山东省科学院) | 2024-09-20 | — | — | CN | claimed |
| CN-118666762-A | Barbituric acid derivative with aggregation-induced emission effect and preparation method thereof | 齐鲁工业大学(山东省科学院) | 2024-09-20 | — | — | CN | disclosed |