Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 5/20 | 0.36 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | CHI3L1 | P36222 | 10/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.33 |
| ▸ | CHIA | Q9BZP6 | 5/20 | 0.33 |
| ▸ | CHIT1 | Q13231 | 4/20 | 0.33 |
| ▸ | CCR3 | P51677 | 1/20 | 0.33 |
| ▸ | CHI3L2 | Q15782 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6943195 | 0.91 | GRIN1 (0.39) | DRD4DRD3DRD2 | |
| SCHEMBL7073119 | 0.85 | DRD4 (0.46) | DRD4DRD3DRD2 | |
| SCHEMBL6943866 | 0.79 | DRD4 (0.39) | DRD4DRD3DRD2KCNH2CCR3 | |
| SCHEMBL7074897 | 0.77 | GRIN2B (0.55) | DRD4DRD3 | |
| SCHEMBL6943216 | 0.70 | GRIN2B (0.47) | DRD4DRD3DRD2KCNH2 | |
| SCHEMBL7074975 | 0.64 | GRIN1 (0.56) | DRD4DRD3DRD2 | |
| SCHEMBL6944380 | 0.63 | HTR1A (0.40) | — | |
| SCHEMBL7079102 | 0.63 | RAB9A (0.41) | DRD4 | |
| SCHEMBL2972100 | 0.61 | ALDH1A1 (0.38) | — | |
| SCHEMBL1273391 | 0.61 | POLB (0.38) | DRD4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1248617-A4 | 2-AZA-BICYCLO 2.2.2]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-03-05 | — | — | EP | disclosed |
| US-6489477-B1 | NMDA NR2B ANTAGONISTS. ACCORDINGLY, ANOTHER ASPECT OF THE INVENTION IS THE TREATMENT OF PAIN, MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE--MALADIES THAT ARE AMENABLE TO AMELIORATION THROUGH | MERCK & CO., INC. | 2002-12-03 | — | — | US | disclosed |
| EP-1248617-A1 | 2-AZA-BICYCLO 2.2.2]OCTANE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-16 | — | — | EP | disclosed |
| WO-2001032177-A1 | 2-AZA-BICYCLO[2.2.2]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | WO | disclosed |