Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 20/20 | 0.76 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL13097374 | 0.91 | SLC6A9 (0.75) | SLC6A9KCNH2CYP3A4 | |
| Hydrochloric Acid SCHEMBL3100335 | 0.91 | SLC6A9 (0.74) | SLC6A9KCNH2CYP3A4 | |
| SCHEMBL7885807 | 0.89 | SLC6A9 (0.83) | SLC6A9KCNH2 | |
| Hydrochloric Acid SCHEMBL3100077 | 0.89 | SLC6A9 (0.81) | SLC6A9KCNH2 | |
| SCHEMBL7886449 | 0.87 | SLC6A9 (0.81) | SLC6A9KCNH2 | |
| SCHEMBL7894344 | 0.87 | SLC6A9 (1.00) | SLC6A9KCNH2 | |
| Hydrochloric Acid SCHEMBL3089183 | 0.86 | SLC6A9 (0.80) | SLC6A9KCNH2 | |
| Hydrochloric Acid SCHEMBL3101548 | 0.86 | SLC6A9 (0.98) | SLC6A9KCNH2 | |
| SCHEMBL3105731 | 0.85 | SLC6A9 (0.84) | SLC6A9KCNH2 | |
| SCHEMBL3089761 | 0.83 | SLC6A9 (0.83) | SLC6A9KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010092180-A1 | Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBOTT GMBH & CO. KG (DE) | 2010-08-19 | — | — | WO | disclosed |