Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | ADAM9 | Q13443 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29131311 | 0.82 | ALDH1A1 (0.38) | CA12CA1CA2CA9LMNA | |
| SCHEMBL30811022 | 0.82 | ALDH1A1 (0.38) | CA12CA1CA2CA9LMNA | |
| SCHEMBL1330697 | 0.82 | NPSR1 (0.43) | CA12CA1CA2CA9LMNA | |
| SCHEMBL17050984 | 0.82 | NPSR1 (0.43) | CA12CA1CA2CA9LMNA | |
| SCHEMBL777297 | 0.74 | ACHE (0.40) | — | |
| SCHEMBL19822546 | 0.74 | TSHR (0.36) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL29131324 | 0.73 | KMT2A (0.36) | CA12CA1CA2CA9LMNA | |
| SCHEMBL19828141 | 0.72 | LMNA (0.37) | LMNAMEN1GAAKMT2ATSHR | |
| SCHEMBL19828208 | 0.71 | LTA4H (0.44) | CA12CA1CA2CA9LMNA | |
| SCHEMBL29938481 | 0.71 | IDO1 (0.43) | LMNA |
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-117303992-A | Preparation method of polyfunctional group substituted chiral sulfoxide compound | 厦门大学 | 2023-12-29 | — | — | CN | claimed |