Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 5/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9587011 | 0.81 | HTT (0.38) | ALDH1A1PGRIDO1 | |
| SCHEMBL9565096 | 0.81 | MAPK1 (0.39) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL9588527 | 0.81 | TDP2 (0.35) | CA1CA2 | |
| SCHEMBL9588923 | 0.79 | CA2 (0.46) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL9588113 | 0.78 | IDO1 (0.41) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL9587825 | 0.75 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL9703829 | 0.72 | CA1 (0.41) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL9587883 | 0.72 | CA1 (0.41) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL9565097 | 0.72 | MAPK1 (0.41) | CA1CA2CA7CA9MALT1 | |
| SCHEMBL9588012 | 0.66 | IDO1 (0.34) | CA1CA2CA7CA9HSD11B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5272170-A | Tetralones with pharmacological activity | J. URIACH & CIA., S.A. (ES) | 1993-12-21 | — | — | US | disclosed |
| US-5208246-A | Hypotensive, bronchodilator | J. URIACH & CIA. (ES) | 1993-05-04 | — | — | US | disclosed |
| EP-0489300-A2 | Tetralones with pharmacological activity | J. URIACH & CIA. S.A. (ES) | 1992-06-10 | — | — | EP | disclosed |