Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | CA2 | P00918 | 5/20 | 0.36 |
| ▸ | CA9 | Q16790 | 5/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | LGALS8 | O00214 | 2/20 | 0.34 |
| ▸ | LGALS3 | P17931 | 2/20 | 0.34 |
| ▸ | LGALS4 | P56470 | 2/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | B4GALT1 | P15291 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP7 | P09237 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.33 |
| ▸ | PYGB | P11216 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL16658408 | 0.90 | LGALS8 (0.40) | MAPK1CA1CA2CA9CA12 | |
| SCHEMBL13944872 | 0.90 | LGALS8 (0.40) | MAPK1CA1CA2CA9CA12 | |
| SCHEMBL22328414 | 0.90 | LGALS8 (0.40) | MAPK1CA1CA2CA9CA12 | |
| SCHEMBL13944866 | 0.78 | LGALS8 (0.38) | MAPK1CA1CA2CA9CA12 | |
| SCHEMBL15497754 | 0.76 | MAPK1 (0.52) | MAPK1CA1CA2CA9CA12 | |
| SCHEMBL13944648 | 0.76 | LGALS8 (0.41) | MAPK1CA1CA2CA9CA12 | |
| SCHEMBL23652153 | 0.76 | LGALS8 (0.41) | MAPK1CA1CA2CA9CA12 | |
| SCHEMBL16377897 | 0.76 | LGALS8 (0.41) | MAPK1CA1CA2CA9CA12 | |
| SCHEMBL15927287 | 0.74 | EPHX2 (0.35) | CA1CA2CA9EPHX2CA12 | |
| SCHEMBL13944870 | 0.74 | PYGB (0.39) | CA1CA2CA9CA12LGALS8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3851447-A1 | METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID | BHI Limited Partnership (CA) | 2021-07-21 | — | — | EP | disclosed |