Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA5A | P35218 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | G6PD | P11413 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | AGER | Q15109 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28375924 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL31420153 | 0.82 | ALDH1A1 (0.41) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL31420199 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL5880398 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL1098295 | 0.77 | GAA (0.54) | ALDH1A1CYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL8213967 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19CA1 | |
| 2,2,2-Trifluoroethanaminium SCHEMBL28924058 | 0.76 | CYP2C9 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL12436755 | 0.74 | TLR9 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL15199476 | 0.74 | GAA (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL28376606 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19CA1 |
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-119528776-A | Mono-fluoro diaryl sulfone ethylamine derivative and preparation method thereof | 天津大学 | 2025-02-28 | — | — | CN | disclosed |