Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.50 |
| ▸ | DRD4 | P21917 | 7/20 | 0.44 |
| ▸ | CXCR6 | O00574 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TPH1 | P17752 | 1/20 | 0.41 |
| ▸ | TPH2 | Q8IWU9 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7079132 | 1.00 | GRIN2B (0.50) | GRIN2BGRIN1DRD4CXCR6DRD3 | |
| SCHEMBL7676062 | 1.00 | GRIN2B (0.50) | GRIN2BGRIN1DRD4CXCR6DRD3 | |
| SCHEMBL7075661 | 0.85 | GRIN2B (0.53) | GRIN2BGRIN1DRD4CXCR6DRD3 | |
| SCHEMBL7072578 | 0.79 | GRIN2B (0.67) | GRIN2BGRIN1DRD4CXCR6DRD3 | |
| SCHEMBL7072398 | 0.75 | GRIN1 (0.53) | GRIN2BGRIN1DRD4CXCR6THRB | |
| SCHEMBL7074897 | 0.74 | GRIN2B (0.55) | GRIN2BGRIN1DRD4DRD3CYP2D6 | |
| SCHEMBL7074921 | 0.73 | GRIN2B (0.56) | GRIN2BGRIN1DRD4CXCR6CYP2D6 | |
| SCHEMBL7077822 | 0.72 | ALDH1A1 (0.34) | CYP2D6NPC1RAB9AHTT | |
| SCHEMBL7672743 | 0.72 | ALDH1A1 (0.34) | CYP2D6NPC1RAB9AHTT | |
| SCHEMBL7077817 | 0.72 | ALDH1A1 (0.34) | CYP2D6NPC1RAB9AHTT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244450-A4 | 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-03-19 | — | — | EP | claimed |
| EP-1244450-A1 | 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-02 | — | — | EP | claimed |
| WO-2001032179-A1 | 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | WO | claimed |
| EP-1244450-A4 | 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-03-19 | — | — | EP | disclosed |
| EP-1244450-A1 | 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| US-6432976-B1 | ANALGESICS; SIDE EFFECT REDUCTION | MERCK & CO., INC. | 2002-08-13 | — | — | US | disclosed |
| WO-2001032179-A1 | 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | WO | disclosed |