Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 6/20 | 0.45 |
| ▸ | UTS2R | Q9UKP6 | 4/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2471886 | 0.82 | OPRK1 (0.45) | OPRK1UTS2RSLC6A3CYP3A4CYP2D6 | |
| SCHEMBL2473795 | 0.80 | OPRK1 (0.42) | OPRK1UTS2RSLC6A3CYP3A4CYP2D6 | |
| SCHEMBL5085914 | 0.79 | NR1H4 (0.41) | UTS2RSLC6A3SIGMAR1GAASLC6A4 | |
| SCHEMBL5083887 | 0.79 | NR1H4 (0.41) | UTS2RSLC6A3SIGMAR1GAASLC6A4 | |
| SCHEMBL5090604 | 0.75 | HSP90AA1 (0.45) | SLC6A3TSHRGAASLC6A4 | |
| SCHEMBL13279618 | 0.72 | SLC6A4 (0.42) | OPRK1UTS2RSLC6A3CYP3A4CYP2D6 | |
| SCHEMBL2095708 | 0.71 | APEX1 (0.44) | CYP3A4TSHRGAA | |
| SCHEMBL10865877 | 0.71 | FSCN1 (0.50) | TSHR | |
| SCHEMBL1324846 | 0.71 | TSHR (0.45) | TSHRGAA | |
| SCHEMBL11722664 | 0.71 | APEX1 (0.44) | TSHRGAA |
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-1976513-A2 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | Sepracor, Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007081857-A2 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SEPRACOR INC. (US) | 2007-07-19 | — | — | WO | disclosed |