Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 3/20 | 0.31 |
| ▸ | CA1 | P00915 | 3/20 | 0.31 |
| ▸ | CA2 | P00918 | 3/20 | 0.31 |
| ▸ | CA4 | P22748 | 3/20 | 0.31 |
| ▸ | CA9 | Q16790 | 3/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL324772 | 0.84 | — | — | |
| Bromide SCHEMBL27445705 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL7763468 | 0.82 | — | — | |
| Water SCHEMBL7212356 | 0.82 | — | — | |
| Ethylene SCHEMBL31157037 | 0.80 | — | — | |
| SCHEMBL6823633 | 0.78 | ALDH1A1 (0.39) | ALDH1A1CA12CA1CA2CA4 | |
| Nitric Acid SCHEMBL28123755 | 0.76 | CA5A (0.38) | ALDH1A1PTGS2CA12CA1CA2 | |
| Butane SCHEMBL7083181 | 0.74 | ALDH1A1 (0.43) | ALDH1A1PTGS2CA12CA1CA2 | |
| Phenol SCHEMBL28030104 | 0.73 | ESR2 (0.42) | ALDH1A1PTGS2CA12CA1CA2 | |
| SCHEMBL9505491 | 0.71 | ALDH1A1 (0.37) | ALDH1A1PTGS2CA12CA1CA2 |
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-108084233-A | A kind of preparation method and medical usage of glycosyl modified butylphenyl phthaleine p-Coumaric acid | 江南大学 | 2018-05-29 | — | — | CN | claimed |
| CN-108084233-A | A kind of preparation method and medical usage of glycosyl modified butylphenyl phthaleine p-Coumaric acid | 江南大学 | 2018-05-29 | — | — | CN | disclosed |