Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 17/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | GHSR | Q92847 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.44 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.44 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.44 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.44 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.44 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.44 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4175700 | 1.00 | MLNR (0.79) | MLNRCYP3A4CYP2D6GHSRFAAH | |
| SCHEMBL1704816 | 0.90 | MLNR (0.74) | MLNRCYP3A4CYP2D6GHSRPRKAB2 | |
| SCHEMBL1704589 | 0.88 | MLNR (1.00) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4180898 | 0.86 | MLNR (0.76) | MLNRCYP3A4CYP2D6GHSRKCNH2 | |
| SCHEMBL4185918 | 0.85 | MLNR (0.77) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4183557 | 0.84 | MLNR (0.77) | MLNRCYP3A4CYP2D6GHSRKCNH2 | |
| SCHEMBL1704464 | 0.78 | MLNR (1.00) | MLNRCYP3A4CYP2D6GHSRKCNH2 | |
| SCHEMBL14618440 | 0.77 | MLNR (0.80) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL1704684 | 0.77 | MLNR (0.71) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4597664 | 0.77 | MLNR (0.82) | MLNRCYP3A4CYP2D6GHSRKCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101258143-B | Benzylpiperazine derivatives and their medical use | GLAXO GROUP LTD | 2012-12-26 | — | — | CN | disclosed |
| EP-1907374-A2 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007012479-A2 | BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE | GLAXO GROUP LIMITED (GB) | 2007-02-01 | — | — | WO | disclosed |