Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | SLC6A9 | P48067 | 5/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14957326 | 1.00 | DRD3 (0.47) | DRD3ESR1ESR2SLC6A9KCNH2 | |
| SCHEMBL14957329 | 1.00 | DRD3 (0.47) | DRD3ESR1ESR2SLC6A9KCNH2 | |
| SCHEMBL14957331 | 1.00 | DRD3 (0.47) | DRD3ESR1ESR2SLC6A9KCNH2 | |
| SCHEMBL14957328 | 1.00 | DRD3 (0.47) | DRD3ESR1ESR2SLC6A9KCNH2 | |
| SCHEMBL20958655 | 0.86 | SLC6A9 (0.58) | DRD3ESR1ESR2SLC6A9KCNH2 | |
| SCHEMBL20958658 | 0.86 | SLC6A9 (0.58) | DRD3ESR1ESR2SLC6A9KCNH2 | |
| SCHEMBL16652211 | 0.86 | SLC6A9 (0.58) | DRD3ESR1ESR2SLC6A9KCNH2 | |
| SCHEMBL14957267 | 0.80 | SLC6A9 (0.54) | SLC6A9KCNH2 | |
| SCHEMBL14965337 | 0.80 | SLC6A9 (0.54) | SLC6A9KCNH2 | |
| SCHEMBL14957265 | 0.80 | SLC6A9 (0.54) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2780328-A1 | N-SUBSTITUTED AMINOBENZOCYCLOHEPTENE, AMINOTETRALINE, AMINOINDANE AND PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | Abbvie Deutschland GmbH & Co. KG (DE) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013072520-A1 | N-SUBSTITUTED AMINOBENZOCYCLOHEPTENE, AMINOTETRALINE, AMINOINDANE AND PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | AbbVie Deutschland GmbH & Co. KG (DE) | 2013-05-23 | — | — | WO | disclosed |