Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRBN | Q96SW2 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | NEK2 | P51955 | 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 | |
|---|---|---|---|---|
| SCHEMBL13144498 | 0.88 | — | — | |
| SCHEMBL29750045 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL30036878 | 0.86 | CRBN (0.45) | CRBNSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31566947 | 0.86 | — | — | |
| SCHEMBL4986868 | 0.84 | CRBN (0.44) | CRBNSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29749828 | 0.82 | CRBN (0.52) | CRBNBACE1 | |
| Hydrochloric Acid SCHEMBL19817283 | 0.82 | CRBN (0.42) | CRBNSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6833316 | 0.81 | CRBN (0.50) | CRBNBACE1HTR2ANEK2 | |
| SCHEMBL29749879 | 0.80 | CRBN (0.50) | CRBN | |
| SCHEMBL30874440 | 0.80 | — | — |
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-2016042451-A1 | 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |