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 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | G6PD | P11413 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | MMP1 | P03956 | 2/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | MMP13 | P45452 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL28376606 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL31420188 | 0.82 | CA1 (0.44) | ALDH1A1MEN1KMT2ABCHEACHE | |
| SCHEMBL31420178 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL31420185 | 0.80 | PKM (0.50) | ALDH1A1GAACA1CA2MMP1 | |
| Trifluoroethanol SCHEMBL7905832 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL41373 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL12143762 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL1098295 | 0.77 | GAA (0.54) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL12144534 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL29233780 | 0.76 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 |
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 |