Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4293243 | 0.84 | DRD2 (0.55) | DRD2DRD4DRD3CYP2D6CYP3A4 | |
| SCHEMBL12372530 | 0.80 | CYP2D6 (0.54) | DRD2DRD4DRD3CYP2D6CYP3A4 | |
| SCHEMBL9377754 | 0.80 | DRD2 (0.51) | DRD2DRD4DRD3CYP2D6CYP3A4 | |
| SCHEMBL1269458 | 0.78 | CYP2D6 (0.61) | DRD2DRD4DRD3CYP2D6CYP3A4 | |
| SCHEMBL10084273 | 0.76 | ABL1 (0.53) | CYP2D6CYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL13556689 | 0.76 | CYP2D6 (0.60) | CYP2D6CYP3A4TSHRALDH1A1GAA | |
| SCHEMBL4817148 | 0.76 | CYP3A4 (0.56) | CYP2D6CYP3A4TSHRALDH1A1CYP2C9 | |
| SCHEMBL2262610 | 0.76 | CYP3A4 (0.56) | CYP2D6CYP3A4TSHRALDH1A1CYP2C9 | |
| SCHEMBL14716240 | 0.76 | CYP2D6 (0.63) | DRD2DRD4DRD3CYP2D6CYP3A4 | |
| SCHEMBL17130274 | 0.74 | NPFFR1 (0.47) | DRD2DRD4DRD3CYP2D6CYP3A4 |
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 |