Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 4/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 SCHEMBL3105749 | 0.99 | SLC6A9 (0.47) | SLC6A9TAAR1TRPV1NPY5RGRIN2B | |
| SCHEMBL3099975 | 0.94 | SLC6A9 (0.49) | SLC6A9TAAR1TRPV1NPY5RMAOB | |
| SCHEMBL15324316 | 0.85 | SLC6A9 (0.48) | SLC6A9TAAR1TRPV1NPY5R | |
| SCHEMBL15324305 | 0.85 | SLC6A9 (0.46) | SLC6A9TAAR1GRIN2BNOS3NOS1 | |
| Hydrochloric Acid SCHEMBL3105742 | 0.84 | SLC6A9 (0.47) | SLC6A9TAAR1TRPV1NPY5R | |
| Hydrochloric Acid SCHEMBL3092884 | 0.84 | SLC6A9 (0.45) | SLC6A9TAAR1GRIN2BNOS3NOS1 | |
| SCHEMBL3099970 | 0.83 | SLC6A9 (0.49) | SLC6A9TRPV1NPY5RSLC6A2SLC6A4 | |
| SCHEMBL7895438 | 0.82 | SLC6A9 (0.65) | SLC6A9TRPV1NPY5RGRIN2B | |
| SCHEMBL7898852 | 0.80 | SLC6A9 (0.67) | SLC6A9TAAR1TRPV1NPY5R | |
| SCHEMBL15324571 | 0.78 | TAAR1 (0.51) | SLC6A9TAAR1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2396296-B1 | AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBVIE DEUTSCHLAND (DE) | 2016-05-25 | — | — | EP | claimed |
| US-9067871-B2 | Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2015-06-30 | — | — | US | claimed |
| US-8563617-B2 | Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2013-10-22 | — | — | US | claimed |