Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | GPR3 | P46089 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL789189 | 1.00 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL27902845 | 0.97 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL28220121 | 0.97 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL596728 | 0.97 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL28188456 | 0.91 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL39465 | 0.89 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL295 | 0.89 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3507077 | 0.89 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3950101 | 0.89 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25292879 | 0.85 | — | — |
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-115069298-B | Activated carbon immobilized catalyst, preparation method and method for preparing aldehyde ketone substances | 清华大学 | 2023-08-25 | — | — | CN | disclosed |