Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 17/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | GHSR | Q92847 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1703823 | 1.00 | MLNR (0.70) | MLNRCYP3A4ALDH1A1CYP2D6GHSR | |
| SCHEMBL4183557 | 0.88 | MLNR (0.77) | MLNRCYP3A4CYP2D6GHSRKCNH2 | |
| SCHEMBL1704816 | 0.87 | MLNR (0.74) | MLNRCYP3A4ALDH1A1CYP2D6GHSR | |
| SCHEMBL1704684 | 0.85 | MLNR (0.71) | MLNRCYP3A4ALDH1A1CYP2D6GHSR | |
| SCHEMBL1704619 | 0.82 | MLNR (1.00) | MLNRCYP3A4CYP2D6GHSRKCNH2 | |
| SCHEMBL4185674 | 0.82 | MLNR (0.73) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL5125893 | 0.80 | MLNR (0.74) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL11967642 | 0.79 | MLNR (0.66) | MLNRCYP3A4CYP2D6GHSRKCNH2 | |
| SCHEMBL1703977 | 0.79 | MLNR (0.64) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704131 | 0.79 | MLNR (1.00) | MLNRCYP3A4CYP2D6KCNH2 |
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 |