Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GLB1 | P16278 | 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 | |
|---|---|---|---|---|
| SCHEMBL13667696 | 1.00 | CA2 (0.40) | CA2CA1CA9ALDH1A1HPGD | |
| SCHEMBL9094083 | 1.00 | CA2 (0.40) | CA2CA1CA9ALDH1A1HPGD | |
| SCHEMBL12302282 | 1.00 | CA2 (0.40) | CA2CA1CA9ALDH1A1HPGD | |
| SCHEMBL8326497 | 1.00 | CA2 (0.40) | CA2CA1CA9ALDH1A1HPGD | |
| SCHEMBL21473168 | 0.79 | CA2 (0.41) | CA2CA1CA9ALDH1A1 | |
| SCHEMBL25495867 | 0.79 | GLB1 (0.34) | CA2CA1CA9ALDH1A1GLB1 | |
| SCHEMBL91158 | 0.79 | PI4KA (0.38) | CA2CA1CA9ALDH1A1GLB1 | |
| SCHEMBL19129781 | 0.79 | GLB1 (0.34) | CA2CA1CA9ALDH1A1GLB1 | |
| SCHEMBL12301979 | 0.79 | PI4KA (0.38) | CA2CA1CA9ALDH1A1GLB1 | |
| SCHEMBL7129056 | 0.79 | PI4KA (0.38) | CA2CA1CA9ALDH1A1GLB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5506347-A | ADENOSINE KINASE INHIBITOR | GENSIA, INC. (US) | 1996-04-09 | — | — | US | disclosed |