Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7054111 | 0.99 | KMT2A (0.31) | LTA4HHSD11B1 | |
| SCHEMBL7052675 | 0.97 | LTA4H (0.34) | LTA4HCYP3A4 | |
| SCHEMBL6680355 | 0.77 | HSD11B1 (0.35) | HSD11B1CYP3A4 | |
| SCHEMBL6682838 | 0.77 | HSD11B1 (0.38) | HSD11B1CYP3A4 | |
| Hydrochloric Acid SCHEMBL6680114 | 0.76 | HSD11B1 (0.34) | HSD11B1CYP3A4 | |
| SCHEMBL7081997 | 0.75 | GRIN2D (0.38) | HSD11B1CYP3A4 | |
| Hydrochloric Acid SCHEMBL7081992 | 0.74 | GRIN2D (0.37) | HSD11B1CYP3A4 | |
| SCHEMBL6680311 | 0.71 | HSD11B1 (0.34) | HSD11B1CYP3A4 | |
| SCHEMBL7079121 | 0.71 | HSD11B1 (0.40) | HSD11B1CYP3A4 | |
| Hydrochloric Acid SCHEMBL6686059 | 0.70 | KMT2A (0.34) | HSD11B1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1305306-A2 | 2-ADAMANTYLETHYLAMINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION | VERNALIS RESEARCH LIMITED (GB) | 2003-05-02 | — | — | EP | claimed |
| WO-2002008219-A2 | 2-ADAMANTYLETHYLAMINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION | VERNALIS RESEARCH LIMITED (GB) | 2002-01-31 | — | — | WO | claimed |