Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 4/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | ARHGDIA | P52565 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6943216 | 0.85 | GRIN2B (0.47) | GRIN1GRIN2BKCNH2OPRM1OPRD1 | |
| SCHEMBL7241045 | 0.83 | GRIN1 (0.65) | GRIN1GRIN2BALDH1A1THRB | |
| SCHEMBL7073777 | 0.82 | GRIN2B (0.52) | GRIN1GRIN2BKCNH2OPRM1OPRD1 | |
| SCHEMBL7072578 | 0.80 | GRIN2B (0.67) | GRIN1GRIN2BCYP2D6 | |
| SCHEMBL6943866 | 0.76 | DRD4 (0.39) | GRIN1GRIN2BKCNH2OPRM1OPRD1 | |
| SCHEMBL6944380 | 0.73 | HTR1A (0.40) | GRIN1GRIN2BOPRM1OPRD1 | |
| SCHEMBL5133609 | 0.72 | GAA (0.53) | GRIN1GRIN2BCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7074921 | 0.72 | GRIN2B (0.56) | GRIN1GRIN2BALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL7075826 | 0.72 | GRIN1 (0.56) | GRIN1GRIN2BALDH1A1 | |
| SCHEMBL7074975 | 0.72 | GRIN1 (0.56) | GRIN1GRIN2B |
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 |