Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.30 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9589242 | 0.85 | CA1 (0.39) | CA1CA2CA4CA7CA9 | |
| SCHEMBL9589614 | 0.83 | ABCC9 (0.38) | F10 | |
| SCHEMBL9588407 | 0.80 | CA1 (0.39) | CA1CA2CA4CA7CA9 | |
| SCHEMBL9733913 | 0.72 | TDP1 (0.37) | PTPRCTDP1L3MBTL1F10MEN1 | |
| SCHEMBL9589861 | 0.72 | ALDH1A1 (0.42) | L3MBTL1ALDH1A1HRH4 | |
| SCHEMBL8085076 | 0.72 | NPSR1 (0.34) | PTPRCF10MEN1KMT2AHRH4 | |
| SCHEMBL9587001 | 0.69 | CA1 (0.39) | CA1CA2CA7CA9HRH4 | |
| SCHEMBL9587407 | 0.69 | S100A4 (0.36) | S100A4F10 | |
| SCHEMBL9736934 | 0.69 | NPSR1 (0.33) | — | |
| SCHEMBL9590341 | 0.68 | GFER (0.36) | HRH4 |
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 |