Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 14/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL377818 | 0.91 | MLNR (0.46) | MLNRCYP3A4CHRM4CYP2D6KCNH2 | |
| SCHEMBL377747 | 0.88 | MLNR (0.54) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1312338 | 0.85 | MLNR (0.47) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL377853 | 0.85 | MLNR (0.52) | MLNRALDH1A1CYP3A4NPC1MAPT | |
| SCHEMBL377498 | 0.83 | MLNR (0.64) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL460944 | 0.79 | ALDH1A1 (0.55) | MLNRALDH1A1CYP3A4NPC1MAPT | |
| SCHEMBL2393775 | 0.79 | BRD4 (0.39) | MLNRALDH1A1CYP3A4NPC1MAPT | |
| SCHEMBL377769 | 0.79 | CCR1 (0.44) | MLNRCYP3A4CHRM4 | |
| SCHEMBL1312677 | 0.79 | MLNR (0.57) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL2397562 | 0.79 | MLNR (0.39) | MLNRCYP3A4RAB9AKCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8012981-B2 | Benzylpiperazine derivatives as motilin receptor agonists | GLAXO GROUP LIMITED (GB) | 2011-09-06 | — | — | US | disclosed |