Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 13/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | GHSR | Q92847 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4596731 | 0.87 | MLNR (0.69) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL1704135 | 0.83 | MLNR (1.00) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4185918 | 0.81 | MLNR (0.77) | MLNRCYP3A4CYP2D6GHSRTRPV1 | |
| SCHEMBL1704684 | 0.81 | MLNR (0.71) | MLNRCYP3A4CYP2D6GHSRTRPV1 | |
| SCHEMBL4597664 | 0.75 | MLNR (0.82) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL3924366 | 0.73 | KDM4E (0.39) | MLNRCYP3A4 | |
| SCHEMBL3921210 | 0.73 | KDM4E (0.39) | MLNRCYP3A4 | |
| SCHEMBL1704176 | 0.73 | MLNR (1.00) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL3913756 | 0.71 | GBA1 (0.41) | — | |
| SCHEMBL1704589 | 0.71 | MLNR (1.00) | MLNRCYP3A4CYP2D6GHSR |
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-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 |