Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 15/20 | 0.48 |
| ▸ | CA12 | O43570 | 13/20 | 0.47 |
| ▸ | CA1 | P00915 | 13/20 | 0.47 |
| ▸ | CA9 | Q16790 | 13/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23740302 | 1.00 | CA2 (0.48) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL13943527 | 1.00 | CA2 (0.48) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL14172492 | 0.88 | CA2 (0.49) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL16377903 | 0.88 | CA2 (0.49) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL14172495 | 0.88 | CYP2D6 (0.51) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL14172499 | 0.87 | CA2 (0.48) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL13943528 | 0.87 | CA2 (0.48) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL23652150 | 0.87 | CA2 (0.48) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL15927382 | 0.85 | MAPK1 (0.37) | CA2CA12CA1CA9 | |
| SCHEMBL23740312 | 0.81 | CA2 (0.48) | CA2CA12CA1CA9CYP2D6 |
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 |