Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 3/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.48 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.44 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CPT1A | P50416 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8541812 | 1.00 | GRIN1 (0.53) | GRIN1GRIN2BDRD2DRD4DRD3 | |
| SCHEMBL8547346 | 0.93 | GRIN1 (0.51) | GRIN1GRIN2BDRD2DRD4DRD3 | |
| SCHEMBL8548402 | 0.90 | GRIN1 (0.65) | GRIN1GRIN2BDRD2DRD4DRD3 | |
| SCHEMBL8873886 | 0.84 | GRIN2B (0.54) | GRIN1GRIN2BDRD2GRIN2DGRIN3B | |
| SCHEMBL8547676 | 0.84 | GRIN2B (0.54) | GRIN1GRIN2BDRD2GRIN2DGRIN3B | |
| SCHEMBL8872102 | 0.84 | GRIN2B (0.55) | GRIN1GRIN2BDRD2GRIN2DGRIN3B | |
| SCHEMBL8547674 | 0.84 | GRIN2B (0.55) | GRIN1GRIN2BDRD2GRIN2DGRIN3B | |
| SCHEMBL8543200 | 0.83 | GRIN1 (0.52) | GRIN1GRIN2BDRD2DRD4DRD3 | |
| SCHEMBL8542536 | 0.83 | GRIN1 (0.52) | GRIN1GRIN2BDRD2DRD4DRD3 | |
| SCHEMBL8546412 | 0.83 | GRIN2B (0.50) | GRIN1GRIN2BGRIN2DGRIN3BGRIN2A |
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 |