Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 14/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | GHSR | Q92847 | 1/20 | 0.49 |
| ▸ | BDKRB1 | P46663 | 5/20 | 0.46 |
| ▸ | METAP2 | P50579 | 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 | |
|---|---|---|---|---|
| SCHEMBL5126864 | 1.00 | MLNR (0.65) | MLNRCYP3A4CYP2D6GHSRBDKRB1 | |
| SCHEMBL5131879 | 0.89 | MLNR (0.66) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4698581 | 0.84 | MLNR (0.63) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL5131916 | 0.84 | MLNR (0.63) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4754157 | 0.80 | MLNR (0.89) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL5123427 | 0.80 | MLNR (1.00) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL5126918 | 0.80 | MLNR (0.89) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL5125046 | 0.79 | MLNR (0.82) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4753905 | 0.78 | MLNR (1.00) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4697262 | 0.78 | MLNR (0.74) | 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-1902022-A1 | PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS | GLAXO GROUP LIMITED (GB) | 2008-03-26 | — | — | EP | disclosed |
| WO-2007007018-A1 | PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS | GLAXO GROUP LIMITED (GB) | 2007-01-18 | — | — | WO | disclosed |