Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB2 | P47870 | 2/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28460539 | 1.00 | GABRB2 (0.50) | GABRB2PGRARGABRA1MAOA | |
| SCHEMBL27984377 | 0.83 | CYP1A2 (0.47) | GABRB2MAOACYP3A4CYP1A2GABBR2 | |
| SCHEMBL9411971 | 0.80 | CYP2C19 (0.56) | GABRB2PGRARGABRA1MAOA | |
| SCHEMBL9412032 | 0.80 | MAOA (0.51) | GABRB2PGRARGABRA1MAOA | |
| SCHEMBL9412031 | 0.80 | MAOA (0.51) | GABRB2PGRARGABRA1MAOA | |
| SCHEMBL9411974 | 0.80 | CYP2C19 (0.56) | GABRB2PGRARGABRA1MAOA | |
| SCHEMBL6513848 | 0.79 | GABBR2 (0.50) | GABRB2CYP3A4CYP1A2GABBR2GABRB1 | |
| SCHEMBL8973181 | 0.79 | GABBR2 (0.50) | GABRB2CYP3A4CYP1A2GABBR2GABRB1 | |
| SCHEMBL8404223 | 0.79 | GABBR2 (0.50) | GABRB2CYP3A4CYP1A2GABBR2GABRB1 | |
| SCHEMBL8973184 | 0.79 | GABBR2 (0.50) | GABRB2CYP3A4CYP1A2GABBR2GABRB1 |
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-1322590-A1 | 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES | Grünenthal GmbH (DE) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002030869-A1 | 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES | Grünenthal GmbH (DE) | 2002-04-18 | — | — | WO | disclosed |