Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 2/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 SCHEMBL28624704 | 0.81 | F2 (0.43) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL27903142 | 0.81 | BLM (0.47) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL7647499 | 0.81 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL17786829 | 0.79 | ALDH1A1 (0.34) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL28202964 | 0.79 | BLM (0.44) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL1698310 | 0.78 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL10796158 | 0.78 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL17318233 | 0.78 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL1663542 | 0.78 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL14774592 | 0.78 | CA1 (0.47) | ALDH1A1L3MBTL1CA1CA2CA7 |
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-112574054-B | Efficient nitriding reagent and application thereof | 北京大学 | 2022-10-14 | — | — | CN | disclosed |