Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 9/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8544748 | 0.91 | GRIN2B (0.58) | GRIN2BGRIN1GRIN2DGRIN3BADRA1D | |
| SCHEMBL8547611 | 0.87 | GRIN2B (0.61) | GRIN2BGRIN1GMNNTP53CYP3A4 | |
| SCHEMBL8546768 | 0.81 | GRIN2B (0.61) | GRIN2BGRIN1GRIN2DGRIN3BGRIN2A | |
| SCHEMBL27391248 | 0.81 | GRIN2B (0.56) | GRIN2BGRIN1GMNNTP53CYP3A4 | |
| SCHEMBL8542863 | 0.81 | GRIN2B (0.47) | GRIN2BKCNH2GRIN1GRIN2DGRIN3B | |
| SCHEMBL9768368 | 0.78 | GRIN2B (0.60) | GRIN2BKCNH2GRIN1GMNNTP53 | |
| SCHEMBL27459644 | 0.78 | GRIN2B (0.62) | GRIN2BGRIN1GMNNTP53CYP3A4 | |
| SCHEMBL8544509 | 0.78 | GRIN2B (0.67) | GRIN2BGRIN1GMNNTP53CYP3A4 | |
| SCHEMBL8549047 | 0.77 | GRIN1 (0.63) | GRIN2BGRIN1GRIN2DGRIN3BADRA1D | |
| SCHEMBL8549343 | 0.76 | GRIN2B (0.59) | GRIN2BGRIN1GRIN2DGRIN3BADRA1D |
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 |
|---|---|---|---|---|---|---|---|
| EP-0709384-B1 | Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors | MERCK PATENT GMBH (DE) | 1998-12-23 | — | — | EP | disclosed |
| US-5698553-A | Benzylpiperidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-12-16 | — | — | US | disclosed |
| EP-0709384-A1 | Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors | MERCK PATENT GmbH (DE) | 1996-05-01 | — | — | EP | disclosed |