Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 17/20 | 0.48 |
| ▸ | CA9 | Q16790 | 15/20 | 0.46 |
| ▸ | CA1 | P00915 | 15/20 | 0.46 |
| ▸ | CA12 | O43570 | 14/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13944875 | 1.00 | CA2 (0.48) | CA2CA9CA1CA12CYP2D6 | |
| SCHEMBL13405552 | 0.85 | CA2 (0.43) | CA2CA9CA1CA12CYP2D6 | |
| SCHEMBL14172492 | 0.82 | CA2 (0.49) | CA2CA9CA1CA12CYP2D6 | |
| SCHEMBL16377903 | 0.82 | CA2 (0.49) | CA2CA9CA1CA12CYP2D6 | |
| SCHEMBL14172495 | 0.82 | CYP2D6 (0.51) | CA2CA9CA1CA12CYP2D6 | |
| SCHEMBL23652136 | 0.81 | CA2 (0.48) | CA2CA9CA1CA12CYP2D6 | |
| SCHEMBL23740302 | 0.81 | CA2 (0.48) | CA2CA9CA1CA12CYP2D6 | |
| SCHEMBL13943527 | 0.81 | CA2 (0.48) | CA2CA9CA1CA12CYP2D6 | |
| SCHEMBL23652150 | 0.79 | CA2 (0.48) | CA2CA9CA1CA12CYP2D6 | |
| SCHEMBL14172499 | 0.79 | CA2 (0.48) | CA2CA9CA1CA12CYP2D6 |
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-2862581-B1 | Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid | BHI LP (CA) | 2021-08-11 | — | — | EP | disclosed |