Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AQP1 | P29972 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6047930 | 0.84 | DRD2 (0.33) | DRD2ALDH1A1CYP1A2CYP3A4CLK4 | |
| SCHEMBL4597018 | 0.83 | USP7 (0.37) | DRD2ALDH1A1CYP1A2CYP3A4CLK4 | |
| SCHEMBL4969196 | 0.83 | PARP1 (0.47) | AQP1DRD2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4596635 | 0.82 | AQP1 (0.39) | AQP1HTR1AHTR7GPR84PARP1 | |
| SCHEMBL4225361 | 0.80 | AQP1 (0.58) | AQP1DRD2HTR1AHTR7PARP1 | |
| SCHEMBL4963747 | 0.79 | AQP1 (0.47) | AQP1TSHRHSD17B10PARP1 | |
| SCHEMBL4597645 | 0.79 | AQP1 (0.40) | AQP1HTR1AHTR7 | |
| SCHEMBL4596739 | 0.79 | AQP1 (0.38) | AQP1ALDH1A1PARP1 | |
| SCHEMBL5060185 | 0.76 | AQP1 (0.40) | AQP1CLK4 | |
| SCHEMBL4595373 | 0.76 | MAOB (0.38) | AQP1DRD2HTR1AHTR7 |
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-1898895-A2 | TREATMENT OF DRUG ABUSE | Wyeth (US) | 2008-03-19 | — | — | EP | claimed |
| WO-2006116148-A2 | (7-ARLYSUBSTITUTED 2, 3-DIHYDR0-1-BENZ0FURAN-2-YL) ALKYLAMINES IN THE TREATMENT' OF SUBSTANCE ABUSE | WYETH (US) | 2006-11-02 | — | — | WO | claimed |